Documentation / Corrected source values
Corrected source values
Cheméo serves values from many compiled sources: handbooks, databases and data tables. A few of their values are wrong at the source: a sign error, a value copied from another compound, a figure from a study that later work overturned. When such a value is found, it is checked against the source itself and against independent measurements; then Cheméo leaves it out when it reads the source. The value is not replaced: the property keeps the values of the other sources.
Every value left out is listed below, by source, with the reason. Compounds whose identity (their structure) was corrected are listed in the last section.
ChEDL: ATcT 1.112
How Cheméo reads this source: ChEDL.
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| 1,3-Cyclopentadiene (542-92-7) | Enthalpy of formation at standard conditions | 101.3 kJ/mol | Revised by ATcT itself to 134.31 kJ/mol in version 1.130; the NIST WebBook gives 130 to 139 kJ/mol from combustion, hydrogenation and equilibrium studies. | 2026-10-31 |
ChEDL: Bradley 2014
How Cheméo reads this source: ChEDL.
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| 2-Fluoropropane (420-26-8) | Normal melting (fusion) point | 406.55 K | Above the compound's boiling point, 263.0 to 263.8 K in four sources; KDB gives 140.0 K. | 2026-10-29 |
ChEDL: PSRK 2005
How Cheméo reads this source: ChEDL.
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| 2-Nonanone (821-55-6) | Critical Volume | 0.254 m³/kmol | Less than half the IUPAC-evaluated 0.560 m3/kmol, which four other compilations share; it implies a critical compressibility of 0.12. | 2026-10-31 |
ChemSep v8.3
How Cheméo reads this source: ChemSep.
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| Methyl hexanoate (106-70-7) | Standard Gibbs free energy of formation | -357.0341 kJ/mol | Does not follow from the same source's enthalpy of formation and entropy, which give about -302 kJ/mol. | 2026-10-31 |
| Propylene carbonate (108-32-7) | Enthalpy of formation at standard conditions | -601.16 kJ/mol | The value of Choi and Joncich (1971), whose liquid enthalpy of formation and enthalpy of vaporization (30.7 kJ/mol, against 61.5 kJ/mol measured since) are both off; two later combustion studies give a liquid value near -613 kJ/mol. | 2026-10-31 |
| 3,5-Dimethylphenol (108-68-9) | Critical Volume | 0.61 m³/kmol | The critical volume is about 30% above what the source's own critical compressibility, temperature and pressure give; other compilations agree with the lower value. | 2026-10-31 |
| Methyl octanoate (111-11-5) | Standard Gibbs free energy of formation | -339.8931 kJ/mol | Does not follow from the same source's enthalpy of formation and entropy, which give about -285 kJ/mol. | 2026-10-31 |
| Diethanolamine (111-42-2) | Enthalpy of formation at standard conditions | -373 kJ/mol | The only calorimetric study (Minadakis and Sabbah, 1982) gives -397.1 kJ/mol, and the source's own Gibbs energy of formation and entropy imply about -409 kJ/mol. | 2026-10-31 |
| Methyl palmitate (112-39-0) | Standard Gibbs free energy of formation | -254 kJ/mol | Rests on an ideal-gas entropy that rises 202 J/(mol K) from methyl myristate, more than twice the step of the series. | 2026-10-31 |
| Methyl stearate (112-61-8) | Standard Gibbs free energy of formation | -242.2 kJ/mol | Rests on the same off-series ideal-gas entropy as the source's methyl palmitate. | 2026-10-31 |
| 2,3-Dimethylphenol (526-75-0) | Critical Volume | 0.47 m³/kmol | The critical volume is about 30% above what the source's own critical compressibility, temperature and pressure give; other compilations agree with the lower value. | 2026-10-31 |
| 2,6-Dimethylphenol (576-26-1) | Critical Volume | 0.52 m³/kmol | The critical volume is about 30% above what the source's own critical compressibility, temperature and pressure give; other compilations agree with the lower value. | 2026-10-31 |
| Dimethyl sulfoxide (67-68-5) | Enthalpy of formation at standard conditions | -209.2 kJ/mol | Below the liquid's enthalpy of formation (-203.4 kJ/mol), which a gas value cannot be; the gas value is -150.5 kJ/mol, the liquid value plus an enthalpy of vaporization of 52.9 kJ/mol. | 2026-10-31 |
| Benzo[b]thiophene (95-15-8) | Enthalpy of formation at standard conditions | 137 kJ/mol | The solid's enthalpy of formation, 100.6 kJ/mol, plus the measured enthalpy of sublimation, 65.7 kJ/mol, gives 166.3 kJ/mol, as the NIST WebBook's two gas values; the source's own Gibbs energy of formation implies 165.8 kJ/mol. | 2026-10-31 |
| 3,4-Dimethylphenol (95-65-8) | Critical Volume | 0.46 m³/kmol | The critical volume is about 30% above what the source's own critical compressibility, temperature and pressure give; other compilations agree with the lower value. | 2026-10-31 |
| 2,5-Dimethylphenol (95-87-4) | Critical Volume | 0.47 m³/kmol | The critical volume is about 30% above what the source's own critical compressibility, temperature and pressure give; other compilations agree with the lower value. | 2026-10-31 |
KDB
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| 2-Heptanone (110-43-0) | Critical Pressure | 3436 kPa | The IUPAC evaluation recommends 2.97 MPa, as three other compilations; 3.44 MPa would lie above 2-hexanone's critical pressure. | 2026-10-31 |
| Dibromomethane (74-95-3) | Standard Gibbs free energy of formation | -10.59 kJ/mol | The value of 1,2-dibromoethane (-10.60 kJ/mol in the same source), copied with its enthalpy of formation. | 2026-10-31 |
| Dibromomethane (74-95-3) | Enthalpy of formation at standard conditions | -38.9 kJ/mol | The value of 1,2-dibromoethane (-38.94 kJ/mol in the same source); ATcT gives dibromomethane 3.1 kJ/mol. | 2026-10-31 |
| 1-Chlorooctadecane (3386-33-2) | Normal Boiling Point Temperature | 292.65 K | The source repeats the freezing point as the normal boiling point; the compound boils near 621 K. | 2026-10-31 |
| Hydrogen chloride (7647-01-0) | Standard Gibbs free energy of formation | 95.3 kJ/mol | Wrong sign: ChemSep gives -95.3 kJ/mol, and the source's own enthalpy of formation, -92.36 kJ/mol, agrees with ATcT, ChemSep and the NIST WebBook. | 2026-10-29 |
| Hydrogen fluoride (7664-39-3) | Enthalpy of formation at standard conditions | 273.1 kJ/mol | Wrong sign: the other sources give -272.7 and -273.3 kJ/mol. | 2026-10-31 |
| Hydrogen sulfide (7783-06-4) | Enthalpy of formation at standard conditions | 20.18 kJ/mol | Wrong sign: the other sources give -20.6 kJ/mol. | 2026-10-31 |
| Styrene (100-42-5) | Enthalpy of formation at standard conditions | -147.5 kJ/mol | Wrong sign: the other sources give 146.9 to 151.5 kJ/mol, and the source's own Gibbs energy of formation, 213.9 kJ/mol, fits the positive value. | 2026-10-31 |
| 1-Nonanol (143-08-8) | Standard Gibbs free energy of formation | -118.3 kJ/mol | Follows from an enthalpy of formation 10 kJ/mol below the calorimetric -376.7 kJ/mol, which three other sources share. | 2026-10-31 |
| 1-Dodecanol (112-53-8) | Critical Volume | 0.718 m³/kmol | Repeats 1-undecanol's critical volume; the homologous step and three compilations give about 0.79 m3/kmol. | 2026-10-31 |
NIST Chemistry WebBook
| Compound | Property | Value left out | Why | Since |
|---|---|---|---|---|
| Propylene carbonate (108-32-7) | Liquid phase enthalpy of formation at standard conditions | -631.8 kJ/mol | The value of Choi and Joncich (1971), about 18 kJ/mol below two later combustion studies (-613.0 and -614.1 kJ/mol). | 2026-10-31 |
| Propylene carbonate (108-32-7) | Enthalpy of vaporization at standard conditions | 30.7 kJ/mol | The value of Choi and Joncich (1971), half the enthalpy of vaporization measured since (61.3 and 61.5 kJ/mol). | 2026-10-31 |
| 3,5-Dimethylphenol (108-68-9) | Critical Pressure | 5572.87 kPa | From a measurement (Glaser and Ruland, 1957) whose critical temperature lies about 50 K above all others. | 2026-10-31 |
| 2-Heptanone (110-43-0) | Critical Pressure | 3440 kPa | The IUPAC evaluation recommends 2.97 MPa, as three other compilations; 3.44 MPa would lie above 2-hexanone's critical pressure. | 2026-10-31 |
| Butyl acetate (123-86-4) | Enthalpy of formation at standard conditions | -566 kJ/mol | Computed from the liquid value of Schiopu, Bot et al. (1961), which lies about 76 kJ/mol off the acetate series; ChemSep and KDB give -485.6 and -486.8 kJ/mol. | 2026-10-31 |
| Butyl acetate (123-86-4) | Liquid phase enthalpy of formation at standard conditions | -609.6 kJ/mol | The value of Schiopu, Bot et al. (1961), about 76 kJ/mol off the acetate series; Schjanberg (1935) gives -533.5 kJ/mol. | 2026-10-31 |
| Ethylenimine (151-56-4) | Enthalpy of vaporization at a given temperature | 57 kJ/mol at 288 K | Filed under ethylenimine from a study of 2-haloethanols (Bernardes, Minas da Piedade et al., 2007); the other measurement and the vapour pressure give about 34 kJ/mol. | 2026-10-31 |
| Fluorobenzene (462-06-6) | Critical Volume | 0.462 m³/kmol | The 1889 value of Young, 72% above the 0.269 l/mol of Douslin et al. (1958), which the IUPAC evaluation confirms; it implies a critical compressibility of 0.45. | 2026-10-31 |
| Bromochloromethane (74-97-5) | Enthalpy of formation at standard conditions | -20 kJ/mol | A single equilibrium study (Skorobogatov, Dymov et al., 1996), 22 kJ/mol from the -42.4 kJ/mol of ATcT 1.130 and from additivity. | 2026-10-31 |
| 3,4-Dimethylphenol (95-65-8) | Critical Pressure | 6586.12 kPa | From a measurement (Glaser and Ruland, 1957) whose critical temperature lies about 40 K above all others. | 2026-10-31 |
Corrected compound identities
Some compounds were served with a wrong structure, or with a structure where none applies (a polymer, a mixture of isomers). Each is listed here with the structure it had and the one it has now; its id has not changed.
| Compound | Served before | Served now | Why | Since |
|---|---|---|---|---|
| (HO)2HPO | [O][P]([O])=O (H3O3P) |
O=[PH](O)O, H3O3P |
Phosphonic acid, H3PO3, is drawn by the WebBook structure file as a PO3 radical, while every record InChI, including the WebBook one for CAS 13598-36-2, gives HP(=O)(OH)2. | 2026-11-02 |
| 6-Azido-5-tert-butyldiphenylsilyloxy-2,3,6-trideoxy-D-threo-hexofuranose | CC(C)(C)[Si](C)(C)OC(CN=[N+]=[N-])C1CCC(=O)O1 (C12H23N3O3Si) |
no structure | The two azido hexofuranoses are lactols, and one carries a tert-butyldiphenylsilyl group, but both were served as the dimethylsilyl lactone, and Cheméo's data holds no right structure, so they are served without one. | 2026-11-02 |
| (1R,9S)-1-Acetoxy-N-acetyl-1,9-dihydro-anhydronornarceine | COc1ccc(C[C@]2(OC(C)=O)c3c(cc4c(c3OC)OCO4)CCN2C(C)=O)c(C(=O)O)c1OC (C25H27NO10) |
no structure | The name gives two stereocentres, 1R and 9S, while the only structure in Cheméo's data has a single stereocentre drawn S, so that structure cannot be this compound and it is served without one. | 2026-11-02 |
| 1-Nitropentane | CCCCCON=O (C5H11NO2) |
CCCCC[N+](=O)[O-], C5H11NO2 |
1-Nitropentane (CAS 628-05-7) is the nitroalkane served under 119-583-3, not the pentyl nitrite structure it was served with. | 2026-11-02 |
| N-propylurea | CCCNC(N)=S (C4H10N2O) |
CCCNC(N)=O, C4H10N2O |
N-Propylurea is propylurea (CAS 627-06-5), C4H10N2O, not the propylthiourea structure it was served with. | 2026-11-02 |
| Reposal | CCC1(C2=CCC3CCC2C3)C(=O)NC(=O)NC1=O (C14H18N2O3) |
CCC1(C2=CC3CCC(C2)C3)C(=O)NC(=O)NC1=O, C14H18N2O3 |
Reposal is 5-(bicyclo[3.2.1]oct-2-en-3-yl)-5-ethylbarbituric acid (CAS 3625-25-0), as served under 115-954-5, not the oct-2-en-2-yl isomer drawn by its only record. | 2026-11-02 |
| METHAPYRILENE | CN(C)CCN(Cc1ccsc1)c1ccccn1 (C14H19N3S) |
CN(C)CCN(Cc1cccs1)c1ccccn1, C14H19N3S |
Methapyrilene is the 2-thienylmethyl compound; the id carries the 3-thienyl (thenyldiamine) structure from a misplaced record. | 2026-11-02 |
| Isodecanol | CC(C)CCCCCCCO (C10H22O) |
no structure | Isodecanol is a mixture of branched isomers, so no single structure applies; formula C10H22O. | 2026-11-02 |
| gentisin | COC1=CC2OC3C=CC(O)=CC3C(=O)C2C(O)=C1 (C14H14O5) |
COc1cc(O)c2c(=O)c3cc(O)ccc3oc2c1, C14H10O5 |
Gentisin is the aromatic xanthone 1,7-dihydroxy-3-methoxyxanthone, C14H10O5, not the saturated structure served. | 2026-11-02 |
| Ammonium sulfate | NOS(=O)(=O)ON (H8N2O4S) |
[NH4+].[NH4+].[O-]S([O-])(=O)=O, H8N2O4S |
Ammonium sulfate is the salt of two ammonium ions and sulfate, as the 43 literature records give it, while the WebBook draws a covalent N-O-S-O-N molecule with the wrong formula H4N2O4S. | 2026-11-02 |
| 1,2-Anhydro-3,4,5,6-alloinositol | [O]C1C([O])C([O])C2OC2C1[O] (C6H10O5) |
OC1C(O)C(O)C2OC2C1O, C6H10O5 |
The served structure carries radical oxygens instead of hydroxyls; the record InChI gives the C6H10O5 epoxide-tetrol, drawn without stereo as the sources give none. | 2026-11-02 |
| 2-ethylhexyl sulfate | CCCCC(CC)COS(=O)(=O)[O-] (C8H18O4S) |
no structure | Served as the sulfate anion while the name, the CAS and the source formula describe the neutral 2-ethylhexyl hydrogen sulfate, which Cheméo does not hold; it is served without a structure, with its formula C8H18O4S. | 2026-11-02 |
| famotidine | Cc1cnc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc2)cn1 (C8H15N7O2S3) |
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1, C8H15N7O2S3 |
Famotidine is served with the glipizide structure taken from one water solubility record, while the literature records and the stored InChI give famotidine, C8H15N7O2S3. | 2026-11-02 |
| Nitrosyl chloride (18O14NCl) | *C* (CH2*2) |
no structure | Served as a placeholder fragment with formula CH2; the 18O-labelled nitrosyl chloride is held by no record or other id with its labels, so it is served without a structure. | 2026-11-02 |
| Isopropylphenol | CC(C)c1ccc(O)cc1 (C9H12O) |
no structure | Isopropylphenol without locant is a mix of positional isomers, not the 4-isomer served. | 2026-11-02 |
| Zinc monohydride | [Zn] (HZn) |
[ZnH], HZn |
Zinc monohydride is ZnH, as the WebBook InChI and formula give it, while the served structure is a bare zinc atom. | 2026-11-02 |
| Polystyrene | *CC(*)c1ccccc1 (C8H8*2) |
no structure | Polystyrene is a polymer without one structure or formula, served with its repeat unit. | 2026-11-02 |
| 6-Keto-PGF1A, EO-TMS, isomer # 1 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCC)O[Si](C)(C)C (C35H73NO5Si4) |
no structure | Both oxime isomers are drawn with a carbon-bound trimethylsilyl group in place of a silyl ether, and the right structure is not in Cheméo's data, so no structure is served. | 2026-11-02 |
| Bentone 27 | O.O=[Si]=O.[O]=[Al][O][Al]=[O] (H2Al2O6Si) |
no structure | Bentone 27 and Bentone 34 are organically modified clays and aluminum silicate is a family of minerals, so none has one structure, and the three remain different substances. | 2026-11-02 |
| 11«alpha»,15«alpha»-dihydroxy-9-ketoprosta-5,13-dienoic acid, EO TMS #1 | CCCCCC(C)(C=CC1C(O[Si](C)(C)C)CC(=NOCC)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C (C32H63NO5Si3) |
CCCCCC(C=CC1C(O[Si](C)(C)C)CC(=NOCC)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C, C31H61NO5Si3 |
The name gives the prostaglandin E2 ethoxime tris-TMS derivative while the source draws an extra 15-methyl group; Cheméo serves the PGE2 derivative's connectivity under another id, so both oxime isomers take it, without configuration since the name does not give it completely. | 2026-11-02 |
| 11«alpha»,15«alpha»-dihydroxy-9-ketoprost-13-enoic acid, 19-hydroxy, MO-TMS # 2 | CON=C1CC(O[Si](C)(C)C)C(C=CC(C)(CCCC(C)O[Si](C)(C)C)O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C (C34H71NO6Si4) |
no structure | The name gives the 19-hydroxy prostaglandin E1 methoxime tetra-TMS derivative, while the source draws an extra 15-methyl group; no record or other id holds the right structure, so both oxime isomers are served without a structure and the formula, which follows the drawing, is not kept. | 2026-11-02 |
| Bentone 34 | O.O=[Si]=O.[O]=[Al][O][Al]=[O] (H2Al2O6Si) |
no structure | Bentone 27 and Bentone 34 are organically modified clays and aluminum silicate is a family of minerals, so none has one structure, and the three remain different substances. | 2026-11-02 |
| .beta.-2-Deoxy-D-ribose, TMS | C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](CC=O)O[Si](C)(C)C (C14H34O4Si3) |
no structure | Alpha and beta name ring anomers of 2-deoxy-D-ribose, but the drawing is the open-chain aldehyde, and the sources do not say whether the ring is a furanose or a pyranose; both are served without a structure, with their formula C14H34O4Si3, and stay apart. | 2026-11-02 |
| METHYLCITRIC ACID (I) diTMS | CC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C (C16H34O6Si3) |
no structure | The served structure is a tris-TMS ester with no hydroxyl group, which cannot be a bis-TMS derivative of methylcitric acid, and no source gives the right one. | 2026-11-02 |
| METHYLCITRIC ACID (II) diTMS | CC(C(=O)O[Si](C)(C)C)C(CC(=O)O[Si](C)(C)C)C(=O)O[Si](C)(C)C (C16H34O6Si3) |
no structure | The served structure is a tris-TMS ester with no hydroxyl group, which cannot be a bis-TMS derivative of methylcitric acid, and no source gives the right one. | 2026-11-02 |
| Toluenesulfonamide, n-ethyl-, (mixture of o-and p-) | CCNS(=O)(=O)c1ccc(C)cc1.CCNS(=O)(=O)c1ccccc1C (C18H26N2O4S2) |
no structure | A mixture of ortho and para isomers has no single structure, and the doubled formula and mass of the two-component SMILES are wrong. | 2026-11-02 |
| Theophylline | Cn1c(=O)c2[nH]cnc2n(C)c1=O (C7H10N4O3) |
Cn1c(=O)c2[nH]cnc2n(C)c1=O.O, C7H10N4O3 |
This id is theophylline monohydrate, as its stored InChI, formula and literature record say; it takes the monohydrate structure and the anhydrous theophylline records go to the theophylline id. | 2026-11-02 |
| Naphthalene, 1,5(or 1,8)-dinitro- | O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12 (C10H6N2O4) |
no structure | The 1,5(or 1,8)-dinitro entry (CAS 71607-49-3) names an isomer mixture and cannot be the pure 1,5 isomer. | 2026-11-02 |
| 6-Keto-PGF1A, EO-TMS, isomer # 2 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCC)O[Si](C)(C)C (C35H73NO5Si4) |
no structure | Both oxime isomers are drawn with a carbon-bound trimethylsilyl group in place of a silyl ether, and the right structure is not in Cheméo's data, so no structure is served. | 2026-11-02 |
| 3-(Methylthio)benzoic heptafluorobutyric anhydride | CSc1ccccc1C(=O)OC(=O)C(F)(F)C(F)(F)C(F)(F)F (C12H7F7O3S) |
no structure | The 3-(methylthio) isomer was served with the 2-(methylthio) structure and the meta structure is not in the database, so it is served with its formula only. | 2026-11-02 |
| Raw sienna | O=[Si]([O-])[O-].[O]=[Fe][O][Fe]=[O] (Fe2O6Si-2) |
no structure | Raw sienna and yellow ochre are natural iron oxide pigments of variable composition, not a single molecule. | 2026-11-02 |
| Yellow ochre | O=[Si]([O-])[O-].[O]=[Fe][O][Fe]=[O] (Fe2O6Si-2) |
no structure | Raw sienna and yellow ochre are natural iron oxide pigments of variable composition, not a single molecule. | 2026-11-02 |
| d3-2E-hexenyl 2-methylbutanoate | CCC=CCCOC(=O)C(C)CC (C11H17D3O2) |
no structure | The d3-(E)-2-hexenyl ester was drawn by its only source as a 3-hexenyl ester, a different connectivity, and Cheméo's data holds no labelled 2-hexenyl structure, so it is served without one, keeping its formula C11H17D3O2. | 2026-11-02 |
| Krypton dimer | [Kr][Kr] () |
no structure | The krypton dimer is a van der Waals pair Kr2 with no covalent bond, whose served bond cannot be read by the structure toolkit, leaving it without formula or mass. | 2026-11-02 |
| «beta»-Cyperone | C=C(C)C1CCC2(C)CCC(=O)C(C)=C2C1 (C15H22O) |
CC1=C2C=C(C(C)C)CC[C@]2(C)CCC1=O, C15H22O |
The kept id takes the right structure, served until now as 62-489-1. | 2026-11-02 |
| 3-Hexen-1-ol, acetate | CCCC=CCOC(C)=O (C8H14O2) |
CCC=CCCOC(C)=O, C8H14O2 |
The same substance: 3-hexenyl acetate without configuration, CAS 1708-82-3 on one id only, one stereo-free structure. | 2026-11-02 |
| Chrome yellow (medium) | [O]=[Cr]1(=[O])[O][PbH2][O]1 (CrO4Pb) |
[O]=[Cr]1(=[O])[O][Pb][O]1, CrO4Pb |
Lead chromate has no hydrogens, so the two invented hydrogens on lead are removed. | 2026-11-02 |
| 2,2,2-Trifluoroethyl acetate | CCOC(=O)CC(F)(F)F (C5H7F3O2) |
no structure | 2,2,2-Trifluoroethyl acetate is CH3COOCH2CF3, while the source draws ethyl 3,3,3-trifluoropropanoate, a different ester served under its own id; the right structure is in no record or other id, so it is served without a structure. | 2026-11-02 |
| Aluminum silicate | O.O=[Si]=O.[O]=[Al][O][Al]=[O] (H2Al2O6Si) |
no structure | Bentone 27 and Bentone 34 are organically modified clays and aluminum silicate is a family of minerals, so none has one structure, and the three remain different substances. | 2026-11-02 |
| poly(ethylene terephthalate) | *COC(=O)c1ccc(C(=O)O*)cc1 (C9H6*2O4) |
no structure | Poly(ethylene terephthalate) is a polymer without one structure or formula, served with its repeat unit. | 2026-11-02 |
| 11«alpha»,15«alpha»-dihydroxy-9-ketoprost-13-enoic acid, 19-hydroxy, MO-TMS # 1 | CON=C1CC(O[Si](C)(C)C)C(C=CC(C)(CCCC(C)O[Si](C)(C)C)O[Si](C)(C)C)C1CCCCCCC(=O)O[Si](C)(C)C (C34H71NO6Si4) |
no structure | The name gives the 19-hydroxy prostaglandin E1 methoxime tetra-TMS derivative, while the source draws an extra 15-methyl group; no record or other id holds the right structure, so both oxime isomers are served without a structure and the formula, which follows the drawing, is not kept. | 2026-11-02 |
| 11.alpha.,15.alpha.-dihydroxy-9-ketoprost-13-enoic acid, EO-TMS # 2 | CCCCC[C@@](C)(/C=C/[C@H]1[C@H](O[Si](C)(C)C)CC(=NOCC)[C@@H]1CCCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C (C32H65NO5Si3) |
no structure | The drawing adds a 15-methyl that the prostaglandin E1 name does not have, and no methyl-free structure is in the data; it is served without a structure. | 2026-11-02 |
| O-phthalaldehyde 2,4-dinitrophenyl hydrazone | O=[N+]([O-])c1ccc(N/N=C\c2ccc(/C=N\Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 (C20H14N8O8) |
no structure | The ortho-phthalaldehyde hydrazone is drawn as the para isomer and no record holds the ortho structure, so it is served without a structure; the para isomer keeps its structure without the E/Z its name does not state. | 2026-11-02 |
| .alpha.-2-Deoxy-D-ribose, TMS | C[Si](C)(C)OC[C@H](O[Si](C)(C)C)[C@@H](CC=O)O[Si](C)(C)C (C14H34O4Si3) |
no structure | Alpha and beta name ring anomers of 2-deoxy-D-ribose, but the drawing is the open-chain aldehyde, and the sources do not say whether the ring is a furanose or a pyranose; both are served without a structure, with their formula C14H34O4Si3, and stay apart. | 2026-11-02 |
| 11«alpha»,15«alpha»-dihydroxy-9-ketoprosta-5,13-dienoic acid, EO TMS # 2 | CCCCCC(C)(C=CC1C(O[Si](C)(C)C)CC(=NOCC)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C (C32H63NO5Si3) |
CCCCCC(C=CC1C(O[Si](C)(C)C)CC(=NOCC)C1CC=CCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C, C31H61NO5Si3 |
The name gives the prostaglandin E2 ethoxime tris-TMS derivative while the source draws an extra 15-methyl group; Cheméo serves the PGE2 derivative's connectivity under another id, so both oxime isomers take it, without configuration since the name does not give it completely. | 2026-11-02 |
| 2-METHYL-3-ETHYL-1,5-HEXADIENE | C=CCC(C)C(=C)C (C8H14) |
no structure | Served as a C8 diene while the name 2-methyl-3-ethyl-1,5-hexadiene is C9H16; the right structure is held by no record or other id, so it is served without a structure, with its formula C9H16. | 2026-11-02 |
| CIS-CROTONITRILE | CC=CCN (C4H5N) |
C/C=C\C#N, C4H5N |
cis-Crotonitrile (CAS 1190-76-7, C4H5N) was served with the crotylamine structure C4H9N; it takes the crotonitrile connectivity Cheméo serves, with the cis configuration its name and CAS give. | 2026-11-02 |
| Dipropylene glycol monomethyl ether acetate | COCCCOCCCOC(C)=O (C9H18O4) |
no structure | Dipropylene glycol monomethyl ether acetate (CAS 88917-22-0) is a mixture of isomers of C9H18O4, served with one linear 1,3-propanediyl isomer that is not even a propylene glycol ether. | 2026-11-02 |
| 9-methylheptadecane | CCCCCCCCC(C)CCCCCCCC (C18H38) |
CCCCCCCCCC(C)CCCCCCCC, C19H40 |
The kept id takes the right structure, served until now as 76-085-4. | 2026-11-02 |
| GA3 open.L, MeTMS | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@]1(O[Si](C)(C)C)CC[C@H](O[Si](C)(C)C)[C@@](C)(C(=O)O[Si](C)(C)C)[C@H]1[C@@H]3C(=O)OC (C32H60O7Si4) |
no structure | The served structure lacks the 1,2-double bond of gibberellin A3 and is the gibberellin A1 derivative, and no source gives the GA3 one. | 2026-11-02 |
| «alpha»-Allofuranose, TMS | C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
Allofuranose is an aldose with a CH(OTMS)CH2OTMS side chain, but it is served with the psicofuranose (ketose) connectivity. | 2026-11-02 |
| GA73 Methyl ester, [D2] | C=C1C[C@]23CC1CC=C2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC (C20H24O4) |
no structure | GA73 methyl ester [D2] is a dideuterated compound, and no labelled structure exists in the data, so it is served without a structure rather than as the unlabelled ester. | 2026-11-02 |
| Deuterium anion | [H][H-][H] (D2-) |
no structure | The served three-hydrogen anion is not the deuterium anion, and no D2 anion structure is in the data; it is served without a structure, keeping its formula. | 2026-11-02 |
| Incensole | CC1=CCC2(C(C)C)CCC(C)(O2)C(O)CC(C)=CCC1 (C20H34O2) |
C/C1=C\CC2(C(C)C)CCC(C)(O2)C(O)CC/C(C)=C/CC1, C20H34O2 |
Incensole is C20H34O2, as its stored formula and the WebBook page InChI give it, while the served structure lacks a ring methyl (C19H32O2). | 2026-11-02 |
| (24E)-Trihydroxy-24-coprostenic acid, Me-TMS | COC(=O)[C@@]12C[C@H](O[Si](C)(C)C)CC[C@]1(C)[C@H]1C[C@H](O[Si](C)(C)C)[C@]3(C)[C@@H]([C@H](C)C/C=C/C(C)C)CC[C@H]3[C@@H]1[C@H](O[Si](C)(C)C)C2 (C38H72O5Si3) |
no structure | The drawing puts the methyl ester on a ring carbon and has one carbon too many for the named trihydroxycholestenoic acid methyl ester tris-TMS ether, and no record holds the right structure, so it is served without a structure. | 2026-11-02 |
| Incensole oxide | CC1=CCCC2(C)OC2CC2(C(C)C)CCC(C)(O2)C(O)C1 (C20H34O3) |
C/C1=C/CCC2(C)OC2CC2(C(C)C)CCC(C)(O2)C(O)CC1, C20H34O3 |
Incensole oxide is C20H34O3, as its stored formula and the WebBook InChI give it, while the served structure lacks a ring carbon (C19H32O3). | 2026-11-02 |
| Lactose, octakis(trimethylsilyl)- | C[Si](C)(C)OCC1OC(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C36H86O11Si8) |
C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C36H86O11Si8 |
This id is lactose octakis(trimethylsilyl) ether, as its name and retention index show, drawn by mistake with the trehalose skeleton; it takes the lactose structure Cheméo already serves, without anomer configuration, and stays apart from the trehalose id. | 2026-11-02 |
| Disilicon mononitride monoxide | [N+]1=[Si]O[SiH]=1 (NOSi2) |
[N+]1=[Si]O[Si-]=1, NOSi2 |
Disilicon mononitride monoxide is the neutral Si2NO ring of its WebBook InChI and stored formula NOSi2, while the served SMILES adds a hydrogen and a positive charge. | 2026-11-02 |
| Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, [1S-(1«alpha»,2«beta»,3«alpha»,5«alpha»)]- | CC1C(O)CC2(C)CC1(C)C2(C)C (C10H18O) |
CC1C(O)CC2CC1C2(C)C, C10H18O |
(+)-Isopinocampheol (CAS 24041-60-9, C10H18O) was served with a C12H22O structure carrying two extra methyls; it takes the isopinocampheol connectivity Cheméo serves, without stereo since no record gives its configuration on the right skeleton. | 2026-11-02 |
| Ammonium selenate | NO[Se](=O)(=O)ON (H8N2O4Se) |
O=[Se](=O)([O-])[O-].[NH4+].[NH4+], H8N2O4Se |
The kept id takes the right structure, served until now as 50-372-3. | 2026-11-02 |
| (E)-3-(E)-13-Octadecadien-1-ol | CCCC/C=C/CCCCCCCCC/C=C/CO (C18H34O) |
CCCC/C=C/CCCCCCCC/C=C/CCO, C18H34O |
The served structure is the 2-ene but the name and record place the double bonds at 3 and 13. | 2026-11-02 |
| Amorphene | CC1=CC2C(CC1)C(C)=CCC2C(C)C (C15H24) |
no structure | Amorphene without a Greek-letter prefix does not say which double-bond isomer is meant, so it is served without structure and with its formula C15H24, as for bisabolene without a prefix. | 2026-11-02 |
| Tolualdehyde | Cc1ccc(C=O)cc1 (C8H8O) |
no structure | CAS 1334-78-7 is tolualdehyde as a mixture of isomers and has no single structure. | 2026-11-02 |
| PGE1 TMS | CCCCC[C@@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C)CC(=O)[C@@H]1CCCCCC(=O)O[Si](C)(C)C)O[Si](C)(C)C (C28H56O5Si3) |
no structure | The drawing has a six-carbon upper chain, one methylene short of prostaglandin E1, and no record or other id holds PGE1 tris-TMS, so it is served without a structure. | 2026-11-02 |
| 1,6-Dioxaspiro[4,4]nona-2,8-diene, 7-(2,4)-hexadiynylidene | C/C=C/C=C/C=C1/C=CC2(CC=CO2)O1 (C13H14O2) |
no structure | The name gives a hexadiynylidene side chain with two triple bonds, but the source draws a hexatrienylidene chain with four more hydrogens, so the compound is served without a structure. | 2026-11-02 |
| C21H16 | c1ccc(C2=C(c3ccccc3)C2c2ccccc2)cc1 (C21H16) |
no structure | CAS 4467-88-3 with its gas-phase acidity data belongs to 1,3-diphenylindene, not triphenylcyclopropene, and no 1,3-diphenylindene structure exists in the data, so it is served with no structure and its formula C21H16. | 2026-11-02 |
| Octadecenoic acid, methyl ester | CCCCCC=CCC=CCCCCCCCC(=O)OC (C19H34O2) |
no structure | The octadecenoic ester has no double bond position and a different formula from the diene served; methyl linolelaidate gets its E,E configuration. | 2026-11-02 |
| 22-Ketocholesterol, TMS | CC(C)CCC(=O)[C@H](C)[C@H]1CC[C@H]2C3CCC4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C (C30H54O2Si) |
no structure | 22-Ketocholesterol TMS ether is a cholest-5-ene, but its only structure is a saturated cholestane with an inverted C20, so it is served without a structure. | 2026-11-02 |
| [13C]GA70, MeTMS | C=C1C[C@]23CC1[C@@H](O[Si](C)(C)C)C[C@H]2[C@@]12CCC[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC (C23H34O5Si) |
no structure | [13C]GA70 methyl ester TMS ether is a carbon-13 labelled compound, and no record or stored identifier gives the labelled structure, so it is served without a structure, keeping its formula and its measured data. | 2026-11-02 |
| 15-nor-Labdan-8-ol | C=C(C)CC[C@H]1C(C)(O)CCC2C(C)(C)CCC[C@@]21C (C19H34O) |
no structure | The drawing carries a 13,14 double bond that the saturated 15-nor-labdan-8-ol name does not have, and no saturated structure is in the data; it is served without a structure. | 2026-11-02 |
| CD+ | [Cd+] (CD+) |
no structure | The deuterated methylidyne cation CD+ is served as the cadmium ion; no record or other id holds it, so it is served without a structure, with its formula CD+ (carbon and deuterium). | 2026-11-02 |
| Piperitenone oxide | C=C(C)C1CC(=O)C2(C)OC2C1 (C10H14O2) |
CC(C)=C1CCC2(C)OC2C1=O, C10H14O2 |
Piperitenone oxide, CAS 35178-55-3, is the isopropylidene epoxy ketone, while its record carries a carvone oxide structure, so it takes the piperitenone oxide structure Cheméo serves, without stereo since the name gives none. | 2026-11-02 |
| 1,3-Oxathiolane, 2-ethyl-5-methyl, cis- | C[C@H]1CS[C@@H](C)O1 (C5H10OS) |
no structure | cis-2-Ethyl-5-methyl-1,3-oxathiolane was drawn as 2,5-dimethyl-1,3-oxathiolane, one carbon short, and no record holds the right structure, so it is served without one, with its formula C6H12OS. | 2026-11-02 |
| Leaded zinc oxide | [O]=[Zn] (OZn) |
no structure | Leaded zinc oxide is a pigment of zinc oxide with lead compounds, a mixture without one structure or formula. | 2026-11-02 |
| bisabolenol | C=C(CCC=C(C)C)[C@@H]1CC=C(CO)CC1 (C15H24O) |
no structure | The name bisabolenol does not identify one isomer, so the compound has no single structure. | 2026-11-02 |
| Borane-methyl sulfide complex | [BH2-][S+](C)C (C2H6S.BH3) |
[BH3-][S+](C)C, C2H9BS |
Borane-dimethyl sulfide is C2H9BS, as its WebBook InChI and Yaws record give it, while the served SMILES carries a BH2 group. | 2026-11-02 |
| Bis(1,3-diphenyl-1,3-propanedionato)copper | C1=C([O][Cu]2([O]C(=CC(=[O]->2)c2ccccc2)c2ccccc2)<-[O]=C1c1ccccc1)c1ccccc1 (C30H22CuO4) |
O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.O=C(/C=C(\[O-])c1ccccc1)c1ccccc1.[Cu+2], C30H22CuO4 |
Bis(dibenzoylmethanato)copper (CAS 58179-06-9) is served with a dative-bond SMILES that structure tools cannot read, while its WebBook InChI gives the same complex as copper(II) with two enolates, matching the served InChIKey. | 2026-11-02 |
| Silane, dimethyl(2-naphthoxy)butoxy- | CCCCO[Si](C)(C)Oc1cccc2ccccc12 (C16H22O2Si) |
no structure | The only source names the 2-naphthyl ether and draws the 1-naphthyl one, so the compound is served without a structure. | 2026-11-02 |
| Benzeneethanamine, dimethyl- | CNC(C)Cc1ccccc1 (C10H15N) |
no structure | Dimethylbenzeneethanamine with CAS 29088-49-1 names unspecified dimethyl isomers, not the N,alpha-dimethyl isomer. | 2026-11-02 |
| Zinc, bis(diethylcarbamodithioato-S,S')-, (T-4)- | CCN(CC)C1=[SH][Zn]2([S]1)[S]C(N(CC)CC)=[SH]2 (C10H20N2S4Zn) |
CCN(CC)C1=[S][Zn]2([S]1)[S]C(N(CC)CC)=[S]2, C10H20N2S4Zn |
The served SMILES has two hydrogens on sulfur that the compound does not have; the record SMILES is hydrogen-free. | 2026-11-02 |
| 22-Stigmastenol acetate | CC[C@@H](CC[C@@H](C)[C@H]1CCC2C3=CCC4C[C@@H](OC(C)=O)CC[C@]4(C)C3CC[C@@]21C)C(C)C (C31H52O2) |
no structure | The name places the double bond at C22 of the side chain but the structure carries it at C7 of the ring, and the stigmast-22-enyl acetate structure is not in the database, so it is served without a structure. | 2026-11-02 |
| 16A-Hydroxyoestrone, TMS | C[C@]12C=CC3c4ccc(O[Si](C)(C)C)cc4CCC3C1C[C@@H](O[Si](C)(C)C)C2=O (C24H36O3Si2) |
CC12CCC3c4ccc(O[Si](C)(C)C)cc4CCC3C1CC(O[Si](C)(C)C)C2=O, C24H38O3Si2 |
The served structure has an extra ring double bond (C24H36) that does not belong to the bis-trimethylsilyl derivative of 16-hydroxyestrone (C24H38). | 2026-11-02 |
| lead telluride | [Te]=[PbH2] (PbTe) |
[Pb]=[Te], PbTe |
Lead telluride has the formula PbTe with no hydrogen atoms, so the added hydrogens on lead are removed. | 2026-11-02 |
| 3,7,11,15-Tetramethylhexadecene, isomer 2 | CC=C(C)CCCC(C)CCCC(C)CCCC(C)C (C20H40) |
no structure | The name '3,7,11,15-tetramethylhexadecene, isomer 2' does not locate the double bond, so it has no single structure. | 2026-11-02 |
| VO-OEP complex | CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.O.[V] (C36H44N4OV) |
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[O].[V+2], C36H44N4OV |
Vanadyl octaethylporphyrin is C36H44N4OV, as its WebBook InChI and formula give it, while the served structure adds water and drops the metal charge, giving C36H46N4OV and the wrong mass. | 2026-11-02 |
| Ramipril Me | CCOC(=O)[C@H](CCc1ccccc1)N(C)[C@@H](C)C(=O)C1[C@H]2CCC[C@H]2C[C@H]1C(=O)OC (C26H37NO5) |
no structure | The served structure replaces the proline-ring nitrogen of ramipril by carbon and no served compound carries the right derivative, so no structure is served. | 2026-11-02 |
| Nitrogen oxide cation | O=[N+]=O (N2O+) |
no structure | The nitrous oxide cation N2O+ is served with the structure of the nitronium ion NO2+; no record or other id holds N2O+, so it is served without a structure, with its formula N2O+. | 2026-11-02 |
| naphtho[1,2-b]fluoranthene | c1ccc2c(c1)-c1cccc3cc4ccc5ccccc5c4c-2c13 (C24H14) |
no structure | Naphtho[1,2-b]fluoranthene (CAS 111189-32-3) was served with the structure of dibenz[a,l]aceanthrylene, and no naphtho[1,2-b]fluoranthene structure exists in the data, so it is served without structure and with its formula C24H14. | 2026-11-02 |
| chlorotoluene | Cc1ccccc1Cl (C7H7Cl) |
no structure | CAS 25168-05-2 is chlorotoluene without a position, so it has no single structure; the o-chlorotoluene structure and the benzyl chloride synonym are wrong. | 2026-11-02 |
| Laminaritriose: bD-Glcp(1->3)-bDGlcp(1->3)-DGlc, oxime-TMS, isomer # 2 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=NO[Si](C)(C)C)O[Si](C)(C)C (C54H129NO16Si12) |
no structure | The laminaritriose derivatives are drawn with the 1,4-linked cellotriose skeleton and Cheméo has no 1,3-linked structure, so they are served without a structure and keep their formula. | 2026-11-02 |
| Rhodium, bis(.eta.2-ethene)(2,4-pentanedionato-O,O')- | CC1=CC(C)=[O]->[Rh]23([O]1)([CH2][CH2]2)[CH2][CH2]3 (C9H15O2Rh) |
C=C.C=C.CC(=O)/C=C(/C)[O-].[Rh+], C9H15O2Rh |
The bis(ethylene)rhodium acetylacetonate structure drawn with dative bonds yields no InChI, so the structure is taken from the WebBook InChI of CAS 12082-47-2, whose key the compound already carries. | 2026-11-02 |
| (E)-1-Chloro-2-fluoroethene | FC=C(F)Cl (C2H2ClF) |
FC=CCl, C2H2ClF |
(E)-1-Chloro-2-fluoroethene is ClCH=CHF, as its name and stored formula C2H2ClF give it, while it is served with 1-chloro-1,2-difluoroethene; Cheméo serves the right connectivity, without geometry, as 1-chloro-2-fluoroethene. | 2026-11-02 |
| thallium chloride | [Cl-].[TlH2+] (ClTl) |
[Cl-].[Tl+], ClTl |
Thallium(I) chloride is Tl+ and Cl-; the served TlH2+ cation has two invented hydrogens. | 2026-11-02 |
| 3,18,20-Trioxo-11«beta»,17«alpha»,21-trihydroxy-4-pregnene, MO-TMS, anti | CON=CC12CCC(=NOC)C=C1CCC1C2C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)=NOC (C33H61N3O6Si3) |
no structure | The name gives the 18-oxo cortisol tris-methoxime tris-TMS derivative while the source draws the 19-oxo isomer; the 18-oxo structure is in no record or other id, so both oxime isomers are served without a structure, with the formula C33H61N3O6Si3 their name and stored formula share. | 2026-11-02 |
| Dimagnesium tetrafluoride | F.F.F.[F-].[Mg].[Mg] (H3F4Mg2-) |
no structure | The served structure of dimagnesium tetrafluoride is wrong (hydrogens and a charge) and no record gives a valid one, so it is served without a structure, with the formula F4Mg2. | 2026-11-02 |
| (E)-Nuciferal | C/C(C=O)=C\CCCCc1ccc(C)cc1 (C15H20O) |
no structure | Nuciferal is 2-methyl-6-(4-methylphenyl)hept-2-enal, branched at C6, while the source draws the unbranched 7-aryl isomer; the right structure is in no record or other id, so it is served without a structure, with its formula C15H20O. | 2026-11-02 |
| Prop-1-en-1,2-dimethyl-1-ol | CC(C)=C(C)[O] (C5H9O) |
CC(C)=C(C)O, C5H10O |
The record InChI is the C5H10O enol, so the served radical form has lost a hydrogen. | 2026-11-02 |
| [14C] GA25 16.alpha., 17-H2, 17-OH , methyl ester | COC(=O)[C@H]1[C@H]2[C@@](C(=O)OC)(CCC[C@@]2(C)C(=O)OC)[C@@H]2CCC3C[C@@]21C[C@H]3C (C23H34O6) |
no structure | A carbon-14 labelled derivative served as an unlabelled structure that also lacks the named 17-hydroxyl, so no structure is served. | 2026-11-02 |
| Aluminum tris(acetylacetonate) | CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[AlH3] (C15H21AlO6) |
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Al+3], C15H21AlO6 |
Aluminium acetylacetonate is Al(C5H7O2)3, as its WebBook InChI and stored formula give it, while the served structure has an AlH3 unit and a 3- charge, giving C15H24AlO6 and the wrong mass. | 2026-11-02 |
| Androst-1,4-dien-17.alpha.-methyl-6.beta.,17.beta.-diol-3-one, TMS | CC(C)(C)C[C@@]1(C)CCC2C3CCC4=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=CCC4C3CCC21C (C30H54O2Si2) |
no structure | The drawn structure is not the named 17alpha-methyl-6beta,17beta-dihydroxyandrosta-1,4-dien-3-one TMS ether and no source holds the right one, so the compound is served without a structure. | 2026-11-02 |
| Ammonium bicarbonate | NOC(=O)O (CH5NO3) |
N.O=C(O)O, CH5NO3 |
Ammonium bicarbonate is a salt of ammonia and carbonic acid, not the O-aminocarbonate drawn; the structure comes from its own InChI. | 2026-11-02 |
| A-Lyxofuranose, TMS | C[Si](C)(C)O[C@H]1OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C (C17H42O5Si4) |
C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C, C17H42O5Si4 |
alpha-Lyxofuranose TMS was served with a pyranose ring although its own record holds the furanose structure, and alpha-D-lyxopyranose TMS gets the stereo its stored InChI carries. | 2026-11-02 |
| «beta»-Caryophyllenol | C=C1CCC(O)C(C)=CCC2C1CC2(C)C (C15H24O) |
no structure | The name beta-caryophyllenol does not give the position of the hydroxyl group, so the compound is served by formula only. | 2026-11-02 |
| trans-2,trans-5-decadiene | C/C=C/C/C=C/CCCCC (C11H20) |
C/C=C/C/C=C/CCCC, C10H18 |
trans-2,trans-5-Decadiene is the (2E,5E)-decadiene its name and retention index give, not the undecadiene it was drawn as. | 2026-11-02 |
| Trichlorodiphenyl | Clc1ccc(-c2ccccc2)c(Cl)c1Cl (C12H7Cl3) |
no structure | The name Trichlorodiphenyl with CAS 25323-68-6 denotes mixed trichlorobiphenyl isomers, not the 2,3,4 isomer. | 2026-11-02 |
| 3,4-Dioxymethylene-p-isopropylphenylacetonitrile | CCc1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1 (C18H15NO2) |
no structure | The name and the source formula give an isopropyl compound, but the structure carries an ethyl group, and the isopropyl structure is in no Cheméo record, so the compound is served without a structure and with the formula of its name. | 2026-11-02 |
| Beryllium acetate, basic | CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].O.[Be].[Be].[Be].[Be] (C12H18Be4O13) |
CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Be+2].[Be+2].[Be+].[Be+].[O], C12H18Be4O13 |
Basic beryllium acetate is Be4O(CH3COO)6, C12H18Be4O13, as its WebBook InChI and stored formula give it, while the served structure has a water molecule in place of the central oxygen. | 2026-11-02 |
| Glycerol 1-octadecenoate, methylboronate | CCCCCCCC/C=C\CCCCCCCC(=O)OCC1COB(C)O1 (C22H41BO4) |
no structure | The name gives neither the position nor the configuration of the double bond, so no single isomer is served. | 2026-11-02 |
| 3-Fluoronorleucine, erythro | CC(C)[C@@H](F)[C@@H](N)C(=O)O (C6H12FNO2) |
no structure | The name is 3-fluoronorleucine, a straight-chain amino acid, but the drawing has the branched leucine skeleton; the right structure is held by no record or other id, so it is served without a structure, with its formula C6H12FNO2. | 2026-11-02 |
| Heptahelicene | c1ccc2cc3cc4cc5cc6cc7ccccc7cc6cc5cc4cc3cc2c1 (C30H18) |
no structure | Heptahelicene is the ortho-fused helical hexa-benzo arene, not the linear acene heptacene its source draws; the helical structure is in no record or other id, so it is served without a structure, with its formula C30H18. | 2026-11-02 |
| Ammonium sulfamate | NOS(N)(=O)=O (H6N2O3S) |
NS(=O)(=O)[O-].[NH4+], H6N2O3S |
The kept id takes the right structure, served until now as 47-905-5. | 2026-11-02 |
| 1,2,3,6-tetrahydromethylphthalic anhydride | CC1=CCC2C(=O)OC(=O)C2C1 (C9H10O3) |
no structure | 1,2,3,6-Tetrahydromethylphthalic anhydride (CAS 26590-20-5) is a generic methyl-position mixture, not the 4-methyl isomer. | 2026-11-02 |
| (1«alpha»,3«alpha»,5«alpha»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane | CC12CC3(C)C(C)(C)C3(C)CC1O2 (C10H16O) |
CC12CC3C(CC1O2)C3(C)C, C10H16O |
3-Carene epoxide named without configuration keeps a stereo-free structure, as its two configured isomers do. | 2026-11-02 |
| bis(«eta»5-Cyclopentadienyl)(«mu»,«eta»6-mesitylene)divanadium | [CH]12[CH]3[CH]4[CH]5[CH]1[V]2345167[CH]2[CH]1[CH]1[CH]3[CH]([CH]26)[V]3172456[CH]1[CH]2[CH]4[CH]5[CH]16 (C19H22V2) |
no structure | The drawing bridges the two vanadium atoms with benzene instead of mesitylene; no record or other id holds the mesitylene complex, so it is served without a structure, with its formula C19H22V2. | 2026-11-02 |
| Lead oxide | [O]=[PbH2] (OPb) |
[O]=[Pb], OPb |
Lead monoxide is PbO without added hydrogens, as in its source records and CAS 1317-36-8. | 2026-11-02 |
| Methanol, (tert-butyldioxy)- | CC(C)(C)COCO (C5H12O3) |
no structure | The drawing is a neopentyl ether, C6H14O2, not the peroxide (tert-butyldioxy)methanol; no record or other id holds the peroxide, so it is served without a structure, with its formula C5H12O3. | 2026-11-02 |
| Magnesium, bis(2,4-pentanedionato-o,o')- | CC1=CC(C)=[O]->[Mg]2([O]1)[O]C(C)=CC(C)=[O]->2 (C10H14MgO4) |
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Mg+2], C10H14MgO4 |
Magnesium acetylacetonate is served with a dative-bond chelate SMILES that yields no InChI, while the WebBook InChI of CAS 14024-56-7 gives the ionic bis(acetylacetonato) structure with the same InChIKey. | 2026-11-02 |
| «beta»-Ionone, 5,6-epoxy | CC(=O)C=CC1C(C)(C)CCC2OC21C (C13H20O2) |
CC(=O)C=CC12OC1(C)CCCC2(C)C, C13H20O2 |
The E members are served without their E double bond and the cis type needs the Z one; the unspecified name stays stereo-free. | 2026-11-02 |
| Undecanone | CCCCCCCCCC(C)=O (C11H22O) |
no structure | The CAS 53452-70-3 denotes undecanone of unspecified position, not 2-undecanone. | 2026-11-02 |
| Hexadecene | C=CCCCCCCCCCCCCCC (C16H32) |
no structure | CAS 26952-14-7 and the name hexadecene are generic (position unspecified), so it is not 1-hexadecene. | 2026-11-02 |
| 6-Keto-PGF1A, BO-TMS, isomer # 2 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)O[Si](C)(C)C (C37H77NO5Si4) |
no structure | Both structure files draw a carbon where the 11-hydroxy oxygen of 6-keto-PGF1alpha bears its TMS group, and no source holds the right structure, so both isomers are served without one. | 2026-11-02 |
| 8-«alpha»-11-Elemodiol | C=CC1CC(O)C(C(C)(C)O)CC1C(=C)C (C14H24O2) |
no structure | 8alpha,11-Elemodiol is an elemane diol C15H26O2 with a methyl on the vinyl-bearing ring carbon, while its sources draw a C14 structure without that methyl; the right structure is in no record or other id, so it is served without a structure. | 2026-11-02 |
| Chrome green (deep) | N#[C][Fe]([NH2])([C]#N)[Fe]([C]#N)([C]#N)([C]#N)[C]#N.O=S1(=O)[O][Pb][O]1.[O]=[Cr]1(=[O])[O][Pb][O]1 (C6H2CrFe2N7O8Pb2S) |
no structure | Chrome green is a pigment mixture of lead chromate, lead sulfate and iron blue, not a single structure. | 2026-11-02 |
| trans, cis-2-Methyl-1-thiadecalin | CC1CCC2(C)CCCCC2(C)S1 (C10H18S) |
CC1CCC2CCCCC2S1, C10H18S |
trans,cis-2-Methyl-1-thiadecalin (C10H18S) is drawn by its only source with two extra methyls on the ring fusion (C12H22S), and the 2-methyl-1-thiadecalin skeleton is served under another id, taken here without stereo since no record gives it on the right skeleton. | 2026-11-02 |
| α,α'-Dimethylmuconic acid | CC(=CC=C(C)C([O])=O)C([O])=O (C8H10O4) |
CC(=CC=C(C)C(=O)O)C(=O)O, C8H10O4 |
The served SMILES had acid groups written without their hydrogens, and the name 2,5-dimethylmuconic acid gives no E/Z, so a plain stereo-free diacid is served. | 2026-11-02 |
| Isomaltotetraose, permethyl | COC[C@@H]1[C@@H](O[C@@H]([C@H](COC)OC)[C@@H](O[C@@H]2O[C@@H](COC)[C@@H](OC)[C@@H](OC)[C@@H]2OC)C(C=O)O[C@@H]2O[C@@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]2OC)O[C@@H](OC)[C@H](OC)[C@@H]1OC (C37H68O21) |
no structure | The served structure cannot be a 1-6 linked permethylated isomaltotetraose and no right structure is in Cheméo's data, so no structure is served. | 2026-11-02 |
| Nonanol | CCCCCCCCCO (C9H20O) |
no structure | Nonanol without locant covers positional isomers, so it is not 1-nonanol. | 2026-11-02 |
| Ammonium perchlorate | NO[Cl+3]([O-])([O-])[O-] (ClH4NO4) |
[NH4+].[O-]Cl(=O)(=O)=O, H4ClNO4 |
Ammonium perchlorate is the salt of ammonium and perchlorate, as its literature records give it, while the WebBook draws a covalent H2N-O-ClO3 molecule of formula H2ClNO4. | 2026-11-02 |
| Isothiocyanic acid | [N-]=C=S (CHNS) |
no structure | Isothiocyanic acid HNCS is served as the thiocyanate anion; no record or other id holds the neutral acid, so it is served without a structure, with its formula CHNS. | 2026-11-02 |
| cis,cis-2-Methyl-1-thiadecalin | CC1CCC2(C)CCCCC2(C)S1 (C10H18S) |
CC1CCC2CCCCC2S1, C10H18S |
cis,cis-2-Methyl-1-thiadecalin (C10H18S) is drawn by its only source with two extra methyls on the ring fusion (C12H22S), and the 2-methyl-1-thiadecalin skeleton is served under another id, taken here without stereo since no record gives it on the right skeleton. | 2026-11-02 |
| «alpha»-D(+)-Fucose, pyranose, TMS | C[Si](C)(C)OC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C20H50O6Si5) |
CC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C18H44O5Si4 |
The served structure has no CH3 on the ring and cannot be a fucopyranose TMS derivative, so it takes the connectivity of the other fucopyranose entries. | 2026-11-02 |
| Ammonium hypophosphite | NP(O)O (H4NO2P) |
no structure | Ammonium hypophosphite is a salt of ammonium and phosphinate, which no source draws correctly, so it is served with its formula H6NO2P and no structure. | 2026-11-02 |
| A-Ribofuranose, TMS | C[Si](C)(C)OC1COC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C17H42O5Si4) |
C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C, C17H42O5Si4 |
alpha-Ribofuranose TMS was served with a pyranose ring although its own record holds the furanose structure; alpha-ribopyranose TMS keeps its structure. | 2026-11-02 |
| Hexenal | CCCC=CC=O (C6H10O) |
no structure | The generic hexenal has no single structure, and trans-2-hexenal takes its E structure. | 2026-11-02 |
| Iron oxide | [O]=[Fe] (Fe2O3) |
no structure | Iron oxide under CAS 1332-37-2 is a generic iron oxide that its only source lists as Fe2O3 without a structure, while the served structure is iron monoxide FeO, so it gets no structure and keeps the formula Fe2O3. | 2026-11-02 |
| N,N-Dimethyl-4-(2-phenylethenyl)benzeneamine | CN(C)Cc1ccc(/C=C/c2ccccc2)cc1 (C17H19N) |
no structure | The name is 4-(dimethylamino)stilbene, an aniline of formula C16H17N, but the source drew a benzylamine of formula C17H19N, and the right structure is in no source, so the compound is served without a structure. | 2026-11-02 |
| Neointermedeol | CC(C)C1CCC2(C)CCCC(C)(O)C2C1 (C15H26O) |
C=C(C)C1CCC2(C)CCCC(C)(O)C2C1, C15H26O |
Neointermedeol (CAS 5945-72-2) was served as a saturated C15H28O alcohol, while it is the unsaturated eudesm-11-en-4-ol C15H26O already served as neointermedeol under another id: one name, the CAS on one side only. | 2026-11-02 |
| 3-Oxo-.alpha.-ionol, Gly, TFA | CC1=CCCC(C)(C)C1/C=C/C(C)O[C@H]1O[C@@H](COC(=O)C(F)(F)F)[C@H](OC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@@H]1OC(=O)C(F)(F)F (C27H28F12O10) |
no structure | The drawing is the alpha-ionol glucoside tetra-trifluoroacetate without the 3-oxo group the name gives; no record or other id holds the named compound, so it is served without a structure. | 2026-11-02 |
| PGA2 TMS | CCCCC[C@@H](/C=C/C1[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C (C32H66O5Si4) |
no structure | The drawing is a prostaglandin F2 tetra-TMS derivative, not the PGA2 derivative the name gives (PGA2 is a cyclopentenone with no ring hydroxyls); no record or other id holds PGA2 TMS, so it is served without a structure. | 2026-11-02 |
| Ferric nitrate | O.O=[N+]([O-])[O][Fe]([O][N+](=O)[O-])[O][N+](=O)[O-] (FeN3O9) |
O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+3], FeN3O9 |
Ferric nitrate, as its three literature records and stored formula give it, is anhydrous Fe(NO3)3, FeN3O9, while the served SMILES, InChIKey and molar mass come from a WebBook entry for a hydrate, FeH2N3O10, that holds only an IR spectrum. | 2026-11-02 |
| cis-Dichlorobis(methylamine)platinum | CN.CN.Cl.Cl.[Pt] (C2H10Cl2N2Pt) |
CN.CN.[Cl-].[Cl-].[Pt+2], C2H10Cl2N2Pt |
The served disconnected SMILES has the formula of a dihydrochloride; the stored InChI gives the charged form with the right formula and the same key. | 2026-11-02 |
| Rhodium, di-«mu»-chlorodichlorobis[(1,2,3,4,5-«eta»)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]di- | C[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.Cl.Cl.Cl.Cl.[Rh].[Rh] (C20H30Cl4Rh2) |
C[C]1C(C)=C(C)C(C)=C1C.C[C]1C(C)=C(C)C(C)=C1C.[Cl-].[Cl-].[Cl].[Cl].[Rh+].[Rh+], C20H30Cl4Rh2 |
The pentamethylcyclopentadienyl rhodium chloride dimer is served with four HCl units (C20H34Cl4Rh2), while its stored InChI, the WebBook InChI of CAS 12354-85-7, gives C20H30Cl4Rh2. | 2026-11-02 |
| ethyl [2H5]mevalonate | CCOC(=O)CC(C)(O)CC (C8H11D5O3) |
no structure | The drawing lacks the 5-hydroxy group of mevalonic acid, so it is not ethyl mevalonate, and no record or other id holds the labelled ester; it is served without a structure, which also ends the unlabelled drawing. | 2026-11-02 |
| Pregnan-2,3-diol-20-one, TMS | CC(=O)[C@H]1CCC2C3CC=C4CC(O[Si](C)(C)C)C(O[Si](C)(C)C)C[C@]4(C)C3CC[C@@]21C (C27H48O3Si2) |
CC(=O)C1CCC2C3CCC4CC(O[Si](C)(C)C)C(O[Si](C)(C)C)CC4(C)C3CCC12C, C27H50O3Si2 |
Pregnan-2,3-diol-20-one TMS ether was drawn as the 5-ene; it takes the saturated pregnane structure Cheméo serves for the same diol ketone, stereo-free since the name gives no configuration. | 2026-11-02 |
| Laminaribiose, permethyl | COC[C@H]1O[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)OC(OC)[C@@H]2OC)[C@H](OC)[C@@H](OC)[C@@H]1OC (C19H36O11) |
no structure | Permethylated laminaribiose is a fully methylated glucose disaccharide, C20H38O11, but it was served with a C19H36O11 structure whose reducing ring lacks carbon 6, and Cheméo's data holds no right structure, so it is served without one. | 2026-11-02 |
| 6,15-Diketo-PGF1A, EO-TMS, isomer # 2 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCC)=NOCC (C34H68N2O5Si3) |
no structure | The isomers of the 6,15-diketo-PGF1alpha bis-ethyloxime tris-TMS derivative were drawn with a trimethylsilylmethyl group on a ring carbon in place of a silyl ether, and no record holds the right structure, so they are served without structure. | 2026-11-02 |
| 6,15-Diketo-PGF1A, EO-TMS, isomer # 1 | CCCCCC(/C=C/[C@@H]1[C@H](C[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1CC(CCCCC(=O)O[Si](C)(C)C)=NOCC)=NOCC (C34H68N2O5Si3) |
no structure | The drawing bonds the 11-TMS group to a ring carbon through a methylene instead of an oxygen; no record holds the right structure, so it is served without a structure. | 2026-11-02 |
| Thallium hexanoate | CCCCCC(=O)[O-].[TlH2+] (C6H11O2Tl) |
CCCCCC(=O)[O-].[Tl+], C6H11O2Tl |
The thallium hexanoate structure carries two invented hydrogens on thallium, the source gives the thallium cation. | 2026-11-02 |
| (-)-nootkatone | CC(C)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]2(C)C1 (C15H24O) |
C=C(C)[C@H]1CCC2=CC(=O)C[C@H](C)[C@@]2(C)C1, C15H22O |
(-)-Nootkatone, CAS 38427-78-0, is the C15H22O enone with an isopropenyl group, while its source drew a dihydro isopropyl compound of the opposite series; it takes the (4S,4aR,6S) nootkatone structure. | 2026-11-02 |
| 3H-2-Benzopyran-7-carboxylic acid, 4,6-dihydro-8-hydroxy-3,4,5-trimethyl-6-oxo-, (3S-trans)- | CC1OC=C2C(=CC(=O)C(C(=O)O)=C2O)C1C (C13H14O5) |
no structure | The drawing lacks the 5-methyl group of the named 3,4,5-trimethyl compound; no record or other id holds the trimethyl structure, so it is served without a structure, with its formula C13H14O5. | 2026-11-02 |
| sandaracopimarinol | C=CC1(C)CCC2C(=CCC3C(C)(CO)CCCC23C)C1 (C20H32O) |
C=C[C@]1(C)C=C2CC[C@H]3[C@](C)(CO)CCC[C@]3(C)[C@H]2CC1, C20H32O |
Sandaracopimarinol has the 8(14)-ene skeleton and isopimarinol the 7-ene skeleton, but both are served with the 7-ene connectivity and no configuration. | 2026-11-02 |
| 8-Dehydrocholesterol, TMS | CC(C)CCC[C@@H](C)[C@H]1CCC2C3=C(CC[C@@]21C)C1CC[C@H](O[Si](C)(C)C)CC1=CC3 (C29H50OSi) |
no structure | The served structure has 29 carbons while the TMS ether of 8-dehydrocholesterol has 30, and no source gives the right one. | 2026-11-02 |
| thallium nitrate | O=[N+]([O-])[O-].[TlH2+] (NO3Tl) |
O=[N+]([O-])[O-].[Tl+], NO3Tl |
Thallium(I) nitrate is the salt of Tl+ and nitrate; the served TlH2+ carries invented hydrogens. | 2026-11-02 |
| Bis(diisobutyldithiocarbamate)nickel complex | CC(C)CN(CC(C)C)C1=[SH][Ni]2([S]1)[S]C(N(CC(C)C)CC(C)C)=[SH]2 (C18H36N2NiS4) |
CC(C)CN(CC(C)C)C(=S)[S][Ni][S]C(=S)N(CC(C)C)CC(C)C, C18H36N2NiS4 |
The served drawing puts hydrogens on two sulfur atoms, which the stored InChI and formula do not have; it takes the structure Cheméo serves for the same InChI. | 2026-11-02 |
| Bicyclo[2.2.1]hept-2-ene, 5-(1-methoxyethylidene)-, (E)- | C=C(OC)C1CC2C=CC1C2 (C10H14O) |
CO/C(C)=C1\CC2C=CC1C2, C10H14O |
The (E)-5-(1-methoxyethylidene) isomer was served with the 5-(1-methoxyethenyl) structure of another compound and takes the methoxyethylidene connectivity Cheméo serves with the (E) double bond its name gives. | 2026-11-02 |
| 6,15-Diketo-PGF1A, EO-TMS, isomer # 3 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCC)=NOCC (C34H68N2O5Si3) |
no structure | The isomers of the 6,15-diketo-PGF1alpha bis-ethyloxime tris-TMS derivative were drawn with a trimethylsilylmethyl group on a ring carbon in place of a silyl ether, and no record holds the right structure, so they are served without structure. | 2026-11-02 |
| Cyclohexanemethanol, 2-hydroxy-α-methyl- | CC([O])C1CCCCC1[O] (C8H16O2) |
CC(O)C1CCCCC1O, C8H16O2 |
The served SMILES has two oxygen radicals; the compound is the diol 1-(2-hydroxycyclohexyl)ethanol (formula C8H16O2). | 2026-11-02 |
| Diethylammonium diethyldithiocarbamate | CCN(CC)SC(=S)N(CC)CC (C9H22N2S2) |
no structure | The salt diethylammonium diethyldithiocarbamate is served as a covalent N-S sulfenamide; no record or other id holds the salt, so it is served without a structure, with its formula C9H22N2S2. | 2026-11-02 |
| 7-angeloyl-9-(2,3-dihydroxy propanoyl) retronecine | C/C=C(/C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(O)CO)C12 (C16H25NO6) |
no structure | A retronecine ester has a 1,2-double bond, but every record draws the saturated skeleton, so the compound is served without a structure until a source gives it. | 2026-11-02 |
| Lead chromate | [O]=[Cr](=[O])([O-])[O-].[PbH6+2] (CrO4Pb) |
[O]=[Cr](=[O])([O-])[O-].[Pb+2], CrO4Pb |
Lead chromate is Pb2+ with chromate; the served structure carries six invented hydrogens on lead. | 2026-11-02 |
| 1,4:5,8-Dimethanonaphthalen-9-ol, 1,4,4a,5,6,7,8,8a-octahydro-, stereoisomer | [O]C1C2CCC1C1C3C=CC(C3)C21 (C12H15O) |
OC1C2CCC1C1C3C=CC(C3)C21, C12H16O |
The structure is the alcohol C12H16O, not an oxygen radical C12H15O. | 2026-11-02 |
| 3.alpha.-Hydroxy-6.beta.-acetoxytropane | CC(=O)OCN1C2C[C@H](O)C[C@@H]1C2 (C9H15NO3) |
CC(=O)OC1CC2CC(O)CC1N2C, C10H17NO3 |
3alpha-Hydroxy-6beta-acetoxytropane was drawn as an N-acetoxymethyl nortropanol (C9H15NO3); it takes the 6-acetoxytropan-3-ol connectivity served in Cheméo, stereo-free since alpha and beta give only a relative configuration. | 2026-11-02 |
| fluorine anion | [F-] (F2-) |
no structure | The fluorine anion of this entry is the molecular anion F2-, as its only source gives its formula and mass, so the fluoride ion structure is removed and the formula F2- is kept. | 2026-11-02 |
| Gurjunene | CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@@H]2C1(C)C (C15H24) |
no structure | The bare name Gurjunene covers the alpha, beta and gamma isomers, so no single structure is served. | 2026-11-02 |
| 7-tigloyl-9-(2,3-dihydroxy propanoyl) retronecine | C/C=C(\C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(O)CO)C12 (C16H25NO6) |
no structure | Retronecine has a 1,2-double bond, but this diester is drawn on the saturated necine (C16H25NO6); no record holds the unsaturated retronecine diester, so it is served without a structure. | 2026-11-02 |
| Thallium heptanoate | CCCCCCC(=O)[O][TlH2] (C7H13O2Tl) |
CCCCCCC(=O)[O][Tl], C7H13O2Tl |
The thallium salt has no added hydrogens on thallium. | 2026-11-02 |
| Isopropyldecalin | CC(C)C1CCCC2CCCCC21 (C13H24) |
no structure | Isopropyldecalin without locant is a mix of positional isomers, while 69-686-5 is specifically the 1-isomer. | 2026-11-02 |
| Bis(diisopropyldithiocarbamate)copper complex | CC(C)N(C1=[SH][Cu]2([S]1)[S]C(N(C(C)C)C(C)C)=[SH]2)C(C)C (C14H28CuN2S4) |
CC(C)N(C1=[S][Cu]2([S]1)[S]C(N(C(C)C)C(C)C)=[S]2)C(C)C, C14H28CuN2S4 |
Copper bis(diisopropyldithiocarbamate) is served with a chelate SMILES that puts a hydrogen on two sulfur atoms (C14H30CuN2S4), while the WebBook structure file without them gives the stored InChI and formula C14H28CuN2S4. | 2026-11-02 |
| Tetrahydrofurfuryl palmitoleate (tent.) | CCCCCC/C=C\CCCCCCCC(=O)OCC1CCCC1 (C22H40O2) |
no structure | The served structure is a cyclopentylmethyl ester while the name gives a tetrahydrofurfuryl ester, which no served compound carries, so no structure is served. | 2026-11-02 |
| 19-Hydroxy PGF1 TMS | CC(CCC[C@@H](/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C[C@H]1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C (C35H74O6Si5) |
no structure | The name gives a 19-hydroxy prostaglandin F1 derivative, while the only source draws a prostaglandin F2 derivative with the 5,6 double bond, so the structure is removed; its formula follows that drawing and is not kept. | 2026-11-02 |
| Cu-TETMP complex | CCC1=C(C)C2=[N]3->[Cu]45<-[N]6=C(C=c7c(C)c(CC)c([n]74)=C2)C(CC)=C(C)C6=Cc2c(CC)c(C)c([n]25)C=C13 (C32H36CuN4) |
CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.[Cu+2], C32H36CuN4 |
The copper tetraethyltetramethylporphyrin complex is served with a dative-bond SMILES from which no InChI can be computed; the WebBook InChI gives the same complex as a porphyrin dianion and copper(II), and identifiers are derived from it. | 2026-11-02 |
| Nitrogen anion | [N-] (N2-) |
no structure | The nitrogen anion of CAS 12185-02-3 is the dinitrogen anion N2-, as its source gives its formula and mass, so the single nitrogen anion structure is removed and the formula N2- is kept. | 2026-11-02 |
| Ethyldiborane | BBCC (C2H10B2) |
no structure | Ethyldiborane is C2H5B2H5, a bridged borane that its source gives only as a formula C2H10B2 and an InChI with hypervalent boron, while the served chain BBCC lacks two hydrogens, so it is served without structure as diborane is. | 2026-11-02 |
| (Z)-Santalol | C\C=C/C=C\C=C/C=C\CCCCCCO (C15H24O) |
no structure | The name gives no single structure (alpha or beta santalol, a bicyclic sesquiterpene alcohol): the served linear tetraene is a placeholder, so no structure is kept. | 2026-11-02 |
| trans-(±)-5-hydroxy-«alpha»,«alpha»,4-trimethylcyclohex-3-ene-1-methanol | CC1=CCC(C(C)(C)[O])CC1[O] (C10H18O2) |
CC1=CCC(C(C)(C)O)CC1O, C10H18O2 |
trans-(±)-Sobrerol was served with a SMILES whose two oxygens lack hydrogens; its stored InChI gives the right C10H18O2 diol. | 2026-11-02 |
| 3-epi-GA63, MeTMS | C=C1CC23CC1CCC2C12CCC(O[Si](C)(C)C)C(C)(C(=O)O1)C2C3C(=O)OC (C23H34O5Si) |
C=C1C2CCC3C45CCC(O[Si](C)(C)C)C(C)(C(=O)O4)C5C(C(=O)OC)C3(C2)C1O[Si](C)(C)C, C26H42O6Si2 |
3-epi-GA63 carries one more hydroxyl than 3-epi-GA4 and was drawn as 3-epi-GA4, so it takes the GA63 methyl ester bis-TMS connectivity, without configuration since the 3-epimer configuration is in no source. | 2026-11-02 |
| Elemene | C=CC1(C)CCC(C(=C)C)CC1C(=C)C (C15H24) |
no structure | Elemene under CAS 11029-06-4 names the elemene isomers without saying which one, so it is served with no structure and the formula C15H24. | 2026-11-02 |
| Cyanocobalamin | CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[C]#N.[Co] (C63H88CoN14O14P) |
CC1=C2N=C(C=C3N=C(C(C)=C4NC(C)(C5N=C1C(C)(CCC(O)=NCC(C)OP(=O)(O)OC1C(CO)OC([n+]6c[nH]c7cc(C)c(C)cc76)C1O)C5CC(=N)O)C(C)(CC(=N)O)C4CCC(=N)[O-])C(C)(CC(=N)O)C3CCC(=N)[O-])C(C)(C)C2CCC(=N)[O-].[C-]#N.[Co+3], C63H88CoN14O14P |
Cyanocobalamin was served as a dianion with a neutral cobalt and a cyanide radical; the literature record's InChI gives the neutral cobalt(III) cyanide complex that the stored InChI already holds. | 2026-11-02 |
| GA29-catabolite, MeTMS | C=C1CC23CC1(O[Si](C)(C)C)CCC2C12CC(O[Si](C)(C)C)CC(C)(C(=O)O1)C2C3C(=O)OC (C26H42O6Si2) |
no structure | The GA29 catabolite is a different compound from GA29, and the labelled GA29 derivative must keep its isotope label, while both are served as unlabelled GA29 methyl ester TMS ether; neither right structure is in Cheméo's data, so both are served without a structure. | 2026-11-02 |
| (1«alpha»,3«beta»,5«beta»,7«alpha»)-3,8,8-trimethyl-4-oxatricyclo[5.1.0.03,5]octane | CC12CC3(C)C(C)(C)C3(C)CC1O2 (C10H16O) |
CC12CC3C(CC1O2)C3(C)C, C10H16O |
3-Carene epoxide named without configuration keeps a stereo-free structure, as its two configured isomers do. | 2026-11-02 |
| Acetone, methylthio, PFBO # 2 | CC(CS)=NOCc1c(F)c(F)c(F)c(F)c1F (C10H8F5NOS) |
CSCC(C)=NOCc1c(F)c(F)c(F)c(F)c1F, C11H10F5NOS |
The kept id takes the right structure, served until now as 113-886-3. | 2026-11-02 |
| IONONE | CC(=O)/C=C/C1C(C)=CCCC1(C)C (C13H20O) |
no structure | Ionone under CAS 8013-90-9 is the technical mixture of ionone isomers and has no single structure, so it is not served as (E)-alpha-ionone. | 2026-11-02 |
| 5-Caffeoyl quinic acid, TMS | C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@@H](OC(=O)C/C=C/c2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1 (C35H68O9Si6) |
C[Si](C)(C)OC(=O)[C@]1(O[Si](C)(C)C)C[C@@H](OC(=O)/C=C/c2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C1, C34H66O9Si6 |
The kept id takes the right structure, served until now as 71-613-2. | 2026-11-02 |
| 3,7,11,15-Tetramethylhexadecene, isomer 3 | CC=C(C)CCCC(C)CCCC(C)CCCC(C)C (C20H40) |
no structure | The name '3,7,11,15-tetramethylhexadecene, isomer 3' does not locate the double bond, so it has no single structure. | 2026-11-02 |
| Lead sulfate | O=S1(=O)[O][PbH2][O]1.[O]=[PbH2] (O5Pb2S) |
O=S(=O)([O-])[O-].[O].[Pb+2].[Pb], O5Pb2S |
The O5Pb2S lead oxide sulfate was served with a SMILES holding four hydrogens on lead; the WebBook InChI gives the hydrogen-free composition that matches the stored formula and mass. | 2026-11-02 |
| Hexanoic acid, 2-butyl- | CCCCC(CCCC)C([O])=O (C10H19O2) |
CCCCC(CCCC)C(=O)O, C10H20O2 |
The served SMILES carries a radical oxygen, but 2-butylhexanoic acid is a closed-shell carboxylic acid. | 2026-11-02 |
| tin monoxide | [O]=[SnH2] (OSn) |
[O]=[Sn], OSn |
Tin monoxide is SnO, the two hydrogens in the served SMILES are not part of the substance. | 2026-11-02 |
| 3-Tetrazene-2-carboximidamide, 4-(1H-tetrazol-5-yl)-,monohydrate | N=C(N)N(N)N=Nc1nnn[nH]1 (C2H6N10.H2O) |
N=C(N)N(N)N=Nc1nnn[nH]1.O, C2H8N10O |
The name and CAS (31330-63-9) give no E/Z for the azo bond, so the stereo-free structure is kept and the invented E key is dropped. | 2026-11-02 |
| Cytosine arabinoside, dimethyl-TMS derivative | CN(C)c1ccn([C@H]2OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)c(=O)n1 (C20H41N3O5Si3) |
no structure | Cytosine arabinoside is an arabinofuranoside, but its only drawing puts the cytosine on a six-membered pyranose ring, and no record holds the furanose derivative, so it is served without a structure, with its formula C20H41N3O5Si3. | 2026-11-02 |
| lead dichloride | [Cl][PbH2][Cl] (Cl2Pb) |
[Cl][Pb][Cl], Cl2Pb |
Lead dichloride is an ionic salt with no hydrogen atoms: the served PbH2 form is wrong. | 2026-11-02 |
| Rhodanilic acid ammonium salt | N.NC1=CC=C=C[CH]1.[C]#[N+][S-].[C]#[N+][S-].[C]#[N+][S-].[C]#[N+][S-].[Cr].[NH2+]C1=CC=C=C[CH]1 (C16H15CrN7S4+) |
no structure | The ammonium salt of the tetrathiocyanato dianiline chromium complex has no correct structure in any source, so it is served without a structure, and without a formula because the sources disagree on it. | 2026-11-02 |
| Chromium(III) trisO,O'-(diethyldithiophosphate) | CCO[PH]1(OCC)[S][Cr]23([S]1)([S][PH](OCC)(OCC)[S]2)[S][PH](OCC)(OCC)[S]3 (C12H30CrO6P3S6) |
CCO[P]1(OCC)[S][Cr]23([S]1)([S][P](OCC)(OCC)[S]2)[S][P](OCC)(OCC)[S]3, C12H30CrO6P3S6 |
Chromium(III) tris(O,O-diethyl dithiophosphate) was served with three extra hydrogens on phosphorus; the WebBook structure file gives C12H30CrO6P3S6, matching the stored formula, mass and InChI. | 2026-11-02 |
| Citrinin | CC1OC=C2C(=CC(=O)C(C(=O)O)=C2O)C1C (C13H14O5) |
no structure | Citrinin (CAS 518-75-2) is a trimethyl compound C13H14O5, while its only source draws a dimethyl structure C12H12O5 without the 5-methyl, and no served compound holds the citrinin connectivity, so it is served without structure and keeps its formula. | 2026-11-02 |
| thallium iodide | [I-].[TlH2+] (ITl) |
[I-].[Tl+], ITl |
Thallium iodide is the Tl+ I- salt, and the served SMILES wrongly adds two hydrogens to thallium. | 2026-11-02 |
| 2,3,6-Trimethylbenzoic acid | Cc1ccc(C)c(C([O])=O)c1C (C10H12O2) |
Cc1ccc(C)c(C(=O)O)c1C, C10H12O2 |
The acid is written with a normal carboxylic acid group, not an oxygen radical. | 2026-11-02 |
| (3-Phenyl-acryloylamino)-acetic acid methyl ester | COC(=O)NC(=O)/C=C/c1ccccc1 (C11H11NO3) |
no structure | The name is methyl N-cinnamoylglycinate (C12H13NO3) but the drawing is methyl N-cinnamoylcarbamate (C11H11NO3); no record holds the glycine ester, so it is served without a structure. | 2026-11-02 |
| 1s,2r,5r-3-Pinanone | C[C@@H]1C(=O)C[C@H]2CC[C@H]1C2(C)C (C11H18O) |
C[C@H]1C(=O)C[C@H]2C[C@@H]1C2(C)C, C10H16O |
3-Pinanone is C10H16O, 2,6,6-trimethylbicyclo[3.1.1]heptan-3-one with the configuration the name gives; the source structure had an extra CH2 ring carbon. | 2026-11-02 |
| Phenol, p-propyl- | CCCc1ccc([O])cc1 (C9H12O) |
no structure | Its CAS is registered for another phenol and its name is truncated, so no structure is served. | 2026-11-02 |
| Anti-tricyclo[3.2.0.0(2,4)]heptane | CC12CC1C1CCC12 (C7H10) |
no structure | Anti-tricyclo[3.2.0.0(2,4)]heptane is C7H10, while its source draws a methylated C8H12 skeleton, and no served compound holds the C7H10 connectivity, so it is served without structure and keeps its formula, apart from the syn isomer. | 2026-11-02 |
| 6-Azido-5-tert-butyldimethylsilyloxy-2,3,6-trideoxy-D-erythro-hexofuranose | CC(C)(C)[Si](C)(C)OC(CN=[N+]=[N-])C1CCC(=O)O1 (C12H23N3O3Si) |
no structure | The two azido hexofuranoses are lactols, and one carries a tert-butyldiphenylsilyl group, but both were served as the dimethylsilyl lactone, and Cheméo's data holds no right structure, so they are served without one. | 2026-11-02 |
| lead sulphide | [S]=[PbH2] (PbS) |
[Pb]=[S], PbS |
Lead sulphide PbS is served with a SMILES that adds two hydrogens to lead (H2PbS); the corrected SMILES gives exactly the stored InChI Pb.S and formula PbS. | 2026-11-02 |
| Tridecanone- | CCCCCCCCCCCC(C)=O (C13H26O) |
no structure | CAS 57702-05-3 is the position-unspecified tridecanone, while the 5-tridecanone compound carries the WebBook and literature CAS 30692-16-1. | 2026-11-02 |
| 3.alpha.-Hydroxy-6.beta.-tigloyloxytropane | C/C=C(\C)C(=O)OCN1C2C[C@H](O)C[C@@H]1C2 (C12H19NO3) |
C/C=C(\C)C(=O)OC1CC2CC(O)CC1N2C, C13H21NO3 |
The 3-hydroxy-6-tigloyloxytropane isomer keeps its served (E) tigloyl structure; only its stored InChI, which gave the (Z) bond, is re-derived. | 2026-11-02 |
| Calcium sulfite | O.O=S1[O][Ca][O]1 (CaO3S) |
O=S([O-])[O-].[Ca+2], CaO3S |
Calcium sulfite CaSO3 is served with the monohydrate SMILES and mass of a WebBook entry, while its stored InChI, formula and literature record give anhydrous CaSO3 (120.14). | 2026-11-02 |
| germanium oxide | [O]=[GeH2] (GeO) |
[Ge]=[O], GeO |
Germanium monoxide GeO is served with a SMILES that adds two hydrogens to germanium (H2GeO); the corrected SMILES gives exactly the stored InChI and formula GeO. | 2026-11-02 |
| Ammonium phosphate, dibasic | NOP(=O)(O)ON (H5N2O4P) |
no structure | Dibasic ammonium phosphate is (NH4)2HPO4, but the served structure is a covalent N-O-P compound with four hydrogens fewer, and no source holds the salt structure. | 2026-11-02 |
| Muurol-5-en-4-one | CC1CCC2C(C)CC[C@H](C(C)C)C2C1=O (C15H26O) |
no structure | The served structure is a saturated ketone while the name gives an unsaturated one, so no structure is served. | 2026-11-02 |
| Cytosine arabinoside, acetyl methyl derivative | CC(=O)OC1C(OC(C)=O)[C@@H](n2ccc(N(C)C(C)=O)nc2=O)OC[C@H]1OC(C)=O (C18H23N3O9) |
no structure | Cytosine arabinoside is an arabinofuranoside, but the only structure in the source draws a pyranose ring, and the furanose derivative is in no Cheméo record, so the compound is served without a structure and keeps its formula. | 2026-11-02 |
| berteroin | CSCCCCCC(S)=NO (C7H13NS2) |
CSCCCCCN=C=S, C7H13NS2 |
Berteroin is 5-(methylthio)pentyl isothiocyanate C7H13NS2, as its stored InChI and a WebBook structure file give it, while the served SMILES is a thiohydroximic acid C7H15NOS2. | 2026-11-02 |
| lead distearate | CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[PbH6+2] (C36H70O4Pb) |
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Pb+2], C36H70O4Pb |
Lead distearate is a lead(2+) salt of two stearates, not a hydride cation. | 2026-11-02 |
| Cadinol | CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@H]2CC1 (C15H26O) |
no structure | Cadinol alone names a group of isomeric sesquiterpene alcohols (alpha, delta, T and others), so no single structure applies. | 2026-11-02 |
| Polyglycol p-750 (dow) | CC(O)CO (C3H8O2) |
no structure | A commercial polypropylene glycol product has no single structure. | 2026-11-02 |
| Mintsulfide | C=C1CCCC2(C)C3CC(C(C)C)C2C1S3 (C15H24S) |
C=C1CCC2SC1C1C(C(C)C)CCC21C, C15H24S |
Mintsulfide is the 4,8-epithioazulene sesquiterpene sulfide already served under another id, while both records drew a different ring system, so both take that connectivity without stereo because the name gives no configuration. | 2026-11-02 |
| DIISODECYL ADIPATE | CC(C)CCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC(C)C (C26H50O4) |
no structure | Diisodecyl adipate (CAS 27178-16-1) is the technical mixture of isodecyl isomers, so it has no single structure. | 2026-11-02 |
| Copper iodide trimer | [Cu]1[IH][Cu][IH][Cu][IH]1 (Cu3I3) |
[Cu].[Cu].[Cu].[I].[I].[I], Cu3I3 |
Copper iodide trimer Cu3I3 is served with a ring SMILES that puts a hydrogen on each iodine (H3Cu3I3); the structure is taken from its InChI 3Cu.3I, as a hydrogen-free Cu3I3 ring cannot be written with the valences structure tools accept. | 2026-11-02 |
| trans-2,trans-5-nonadiene | C/C=C/C/C=C/CCCC (C10H18) |
C/C=C/C/C=C/CCC, C9H16 |
trans-2,trans-5-Nonadiene is a C9 diene, as its name and its retention index of 889 on squalane give, not the decadiene its source draws, so it takes the (2E,5E)-nona-2,5-diene structure. | 2026-11-02 |
| tin sulphide | [S]=[SnH2] (SSn) |
[Sn]=[S], SSn |
Tin(II) sulfide has no hydrogens; the served structure had two invented hydrogens. | 2026-11-02 |
| Bis(diphenoxyphosphoryloxy)lead | O=P([O][PbH2][O]P(=O)(Oc1ccccc1)Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1 (C24H20O8P2Pb) |
O=P([O-])(Oc1ccccc1)Oc1ccccc1.O=P([O-])(Oc1ccccc1)Oc1ccccc1.[Pb+2], C24H20O8P2Pb |
The served structure carries two spurious hydrogens on lead; the source InChI is the lead bis(diphenyl phosphate) salt. | 2026-11-02 |
| Pseudotropine | CN1C2CCC1CC(C)(O)C2 (C8H15NO) |
CN1[C@@H]2CC[C@H]1C[C@H](O)C2, C8H15NO |
Pseudotropine is tropan-3beta-ol, the exo isomer. | 2026-11-02 |
| germacra-1(10),4-dien-6-ol | C=C1CCC/C(C)=C/C(O)[C@H](C(C)C)CC1 (C15H26O) |
CC1=CC(O)C(C(C)C)CCC(C)=CCC1, C15H26O |
Germacra-1(10),4-dien-6-ol is drawn by its only source as germacra-4,10(14)-dien-6-ol, with an exocyclic methylene in place of the 1(10) ring double bond; it takes the germacra-1(10),4-dien-6-ol connectivity served for kunzeaol, without stereo as its name gives none. | 2026-11-02 |
| beta-Methylcinnamyl alcohol | CC(=CC[O])c1ccccc1 (C10H12O) |
C/C(=C\CO)c1ccccc1, C10H12O |
The served SMILES contains an oxygen radical and no double bond geometry; the E alcohol is the intended structure. | 2026-11-02 |
| HC(O)OOH | [O]OC=O (CHO3) |
O=COO, CH2O3 |
The name HC(O)OOH and CAS 107-32-4 are performic acid, not the peroxyformyl radical drawn in the served structure. | 2026-11-02 |
| Dihelium | [He][He] (He2) |
no structure | The helium dimer is a van der Waals pair He2 with no covalent bond, so it is served without structure with the formula He2, as the krypton dimer is. | 2026-11-02 |
| «alpha»-Talofuranose, TMS | C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
An aldohexofuranose cannot have the ketose structure served for it; alpha-talofuranose TMS takes the aldohexofuranose connectivity. | 2026-11-02 |
| Phthalic acid, isobutyl trans-dec-3-enyl ester | CCCCCCCC/C=C/OC(=O)c1ccccc1C(=O)OCC(C)C (C22H32O4) |
no structure | The served structure is the dec-1-enyl ester while the name gives the trans-dec-3-enyl ester, which no served compound carries, so the compound is served by formula only. | 2026-11-02 |
| Cytidine, buto-oxime-TMS derivative | CCCCO/N=c1\nc(N[Si](C)(C)C)ccn1[C@H]1O[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C24H52N4O5Si4) |
no structure | The drawing has a four-carbon sugar with a silyloxy group in place of the 5'-CH2O group, so it is not a cytidine derivative; no record holds the right structure, so it is served without a structure. | 2026-11-02 |
| [4,5-2H2]-trans-4,5-Epoxy-(E)-2-decenal | CCCCCC1OC1CCC=O (C10H16D2O2) |
no structure | The labelled trans-4,5-epoxy-(E)-2-decenal standard is unsaturated, while its source draws and formulates the saturated epoxydecanal, so the structure is removed and the formula, which follows that drawing, is not kept. | 2026-11-02 |
| «beta»-Idofuranose, TMS | C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
Idofuranose is an aldohexose but was drawn as a ketohexose like sorbofuranose, so it takes the aldohexofuranose structure, without configuration since the name gives no D or L series. | 2026-11-02 |
| tin selenide | [Se]=[SnH2] (SeSn) |
[Se]=[Sn], SeSn |
Tin selenide, CAS 1315-06-6, has the formula SeSn with no hydrogen: the served structure adds two hydrogens on tin. | 2026-11-02 |
| Zinc, bis(dimethylcarbamodithioato-S,S')-, (T-4)- | CN(C)C1=[SH][Zn]2([S]1)[S]C(N(C)C)=[SH]2 (C6H12N2S4Zn) |
CN(C)C1=[S][Zn]2([S]1)[S]C(N(C)C)=[S]2, C6H12N2S4Zn |
The served smiles added hydrogens on sulfur; the source structure with the right formula and charge is the dithiocarbamate zinc complex. | 2026-11-02 |
| 5,16:8,13-Diethenodibenzo[a,g]cyclododecane, 6,7,14,15-tetrahydro | c1ccc2c(c1)C1CCc3ccc(c4ccccc34)CCC2CC1 (C24H20) |
c1ccc2c3ccc(c2c1)CCc1ccc(c2ccccc12)CC3, C24H20 |
2.2Naphthalenophane (C24H20) is drawn by its only source with two saturated naphthalene rings (C24H24), and takes the naphthalenophane structure served for its syn isomer. | 2026-11-02 |
| Ammonium phosphate, monobasic | NOP(=O)(O)O (H6NO4P) |
no structure | Ammonium dihydrogen phosphate (CAS 7722-76-1) is a salt, while its only source draws a covalent N-O-P molecule, and no record holds the salt, so it is served without structure and keeps its formula H6NO4P. | 2026-11-02 |
| Inulotriose: bD-Fruf(2->1)-bDFruf(2->1)-DFru, oxime-TMS, isomer # 1 | C[Si](C)(C)OC[C@]1(OC[C@]2(OCC3(O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]3O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C (C48H114O16Si11) |
no structure | The oxime trimethylsilyl derivative of inulotriose contains nitrogen, while its only drawing is the closed, nitrogen-free trisaccharide, and no record holds the oxime, so it is served without a structure. | 2026-11-02 |
| Cyclohexanol, 2-tert-butyl-5-methyl- | CC1CCC(C(C)(C)C)C([O])C1 (C11H21O) |
CC1CCC(C(C)(C)C)C(O)C1, C11H22O |
The served structure carries a radical oxygen; the name and InChI describe the alcohol C11H22O with no stereo. | 2026-11-02 |
| Diisopropyl ammonium nitrite | CC(C)[N+]C(C)C.O=N[O-] (C6H16N2O2) |
no structure | Diisopropylammonium nitrite (CAS 3129-93-9) is the salt of the diisopropylammonium cation, while its source draws a nitrogen cation without its two hydrogens, so it is served without structure and keeps its formula C6H16N2O2. | 2026-11-02 |
| Prothipendyl M (nor-HO-), diacetylated | CC(=O)Oc1ccc2c(c1)Sc1ccccc1N2CCCN(C)C(C)=O (C20H22N2O3S) |
no structure | The prothipendyl metabolite is drawn as the promazine metabolite, a phenothiazine without the pyridine nitrogen, and its right structure is in no Cheméo record, so it is served without a structure; the promazine metabolite keeps its own. | 2026-11-02 |
| Sulfur pentafluoride | F[SH](F)(F)(F)F (F5S) |
F[S](F)(F)(F)F, F5S |
Sulfur pentafluoride is the SF5 radical, as its stored InChI and WebBook structure file give it, while the served SMILES adds a hydrogen on sulfur (HF5S). | 2026-11-02 |
| Tetracyclo[3.3.2.02,4.06,8]dec-9-ene (1«alpha»,4«alpha»,6«alpha»,8«alpha»)- | CC12CC1(C)C1C=CC2C2(C)CC12C (C10H12) |
C1=CC2C3CC3C1C1CC21, C10H12 |
This tetracyclo[3.3.2.0(2,4).0(6,8)]dec-9-ene stereoisomer (C10H12, CAS 27367-72-2) was served with a C14H20 structure carrying four extra methyls, so it takes the tetracyclodecene connectivity served under another id, without stereo. | 2026-11-02 |
| Tritin hexafluoride | F.F.F.F.F.[F-].[Sn].[Sn].[Sn] (F6Sn3) |
[F-].[F-].[F-].[F].[F].[F].[Sn+].[Sn+].[Sn+], F6Sn3 |
Tritin hexafluoride was served with a SMILES holding five hydrogens and a net charge, while the WebBook InChI gives the hydrogen-free Sn3F6 composition that matches the stored formula and mass. | 2026-11-02 |
| Tetradecanol | CCCCCCCCCCCCCCO (C14H30O) |
no structure | The CAS 27196-00-5 denotes tetradecanol of unspecified isomer, not 1-tetradecanol. | 2026-11-02 |
| Santalene (major) | C=C1C2CCC(C2)C1(C)CCC=C(C)C (C15H24) |
no structure | Santalene without alpha or beta is position-unspecified and cis-beta-santalene keeps a stereo-free structure. | 2026-11-02 |
| 1,4-diphenyl-1-butene | CC(CC=Cc1ccccc1)c1ccccc1 (C16H16) |
C(=Cc1ccccc1)CCc1ccccc1, C16H16 |
1,4-Diphenyl-1-butene (CAS 14213-84-4, C16H16) was served with the 1,4-diphenyl-1-pentene structure (C17H18), and its only record has no structure, so it takes the 1,4-diphenyl-1-butene connectivity served under another id, without stereo since its name gives none. | 2026-11-02 |
| 1,4:5,8-Dimethanonaphthalen-9-ol, decahydro-, stereoisomer | [O]C1C2CCC1C1C3CCC(C3)C21 (C12H18O) |
OC1C2CCC1C1C3CCC(C3)C21, C12H18O |
Both decahydro-1,4:5,8-dimethanonaphthalen-9-ol stereoisomers are served with an oxyl radical SMILES ([O], C12H17O) while their stored InChI and formula are the alcohol C12H18O. | 2026-11-02 |
| (Z)-CH3CH=CHCH2COOH | C/C=C\CC([O])=O (C5H7O2) |
C/C=C\CC(=O)O, C5H8O2 |
(Z)-3-Pentenoic acid (CAS 33698-87-2) was served as a carboxyl radical (C5H7O2); its WebBook InChI gives the (Z) acid C5H8O2. | 2026-11-02 |
| Decanol | CCCCCCCCCCO (C10H22O) |
no structure | Decanol with CAS 36729-58-5 denotes mixed decanol isomers, so it has no single structure and is not 1-decanol. | 2026-11-02 |
| Aluminum, di-«mu»-chlorotetrachlorodi- | Cl.Cl.Cl.Cl.Cl.Cl.[AlH3+2].[AlH3] (Al2Cl6) |
[Al+2].[Al+2].[Cl-].[Cl-].[Cl-].[Cl-].[Cl].[Cl], Al2Cl6 |
The aluminum chloride dimer Al2Cl6 was served with a SMILES holding six HCl molecules and hydrogens on aluminum, while its WebBook InChI gives the hydrogen-free Al2Cl6 composition that matches the stored formula and mass. | 2026-11-02 |
| Cobalt chloride | [Cl-].[Cl-].[Cl-].[Co+3] (CoCl2) |
[Cl-].[Cl-].[Co+2], Cl2Co |
Cobalt chloride (CAS 7646-79-9) is cobalt(II) chloride CoCl2, as its literature records and stored InChI give it, while the served structure came from a cobalt trichloride record, which is removed from the compound. | 2026-11-02 |
| Titanium hydride | [Ti] (Ti) |
[TiH2], H2Ti |
Titanium hydride (titanium dihydride, CAS 7704-98-5) is served as the bare element. | 2026-11-02 |
| Maltulose-2, TMS (.beta.-pyranose) | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)OC(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](OC2O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C (C38H92O12Si9) |
no structure | The drawing has eleven sugar carbons, a glucosyl ring without its C6 and an extra silyloxy group, so it is not a maltulose derivative; no record holds the right structure, so it is served without a structure. | 2026-11-02 |
| Butalbital M (OH) | CCC(C)(O)C1(CC)C(=O)NC(=O)NC1=O (C10H16N2O4) |
no structure | The only source names a hydroxy metabolite of butalbital and draws another barbiturate, so the compound is served without a structure. | 2026-11-02 |
| p-Mentha-1,5,8-triene | C=C(C)C1=CC=C(C)CC1 (C10H14) |
C=C(C)C1C=CC(C)=CC1, C10H14 |
The WebBook page for CAS 21195-59-5 is p-mentha-1,5,8-triene, and CAS 18368-95-1 is 1,3,8-p-menthatriene; each id gets the structure and CAS of its own records. | 2026-11-02 |
| Terpineol | CC1=CCC(C(C)(C)O)CC1 (C10H18O) |
no structure | Terpineol under CAS 8006-39-1 is the commercial mixture of terpineol isomers, so it is served without a single-isomer structure, with its formula C10H18O. | 2026-11-02 |
| Vanadyl bis(acetylacetonate) | CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].O.[V] (C10H14O5V) |
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[O].[V+2], C10H14O5V |
Vanadyl bis(acetylacetonate) was served with a water molecule and neutral vanadium (net charge -2), so its structure is taken from its WebBook InChI, the vanadium(IV) oxo bis(Z-enolate) that matches the stored formula and mass. | 2026-11-02 |
| Pb(II) N,N-bis(2,2,2-trifluoroethyl)dithiocarbamate, chelate | FC(F)(F)CN(CC(F)(F)F)C(=S)[S][PbH2][S]C(=S)N(CC(F)(F)F)CC(F)(F)F (C10H8F12N2PbS4) |
FC(F)(F)CN(CC(F)(F)F)C(=S)[S][Pb][S]C(=S)N(CC(F)(F)F)CC(F)(F)F, C10H8F12N2PbS4 |
The served smiles carries two invented hydrogens on lead; the record smiles has none. | 2026-11-02 |
| Cholic acid | CC(CCC(=O)O)C1CCC2C3C(O)CC4(C)CC(O)CCC4(C)C3CC(O)C12C (C24H40O5) |
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C, C24H40O5 |
Cholic acid (CAS 81-25-4, C24H40O5) was served with a C25H42O5 structure carrying an extra methyl on C5, so it takes the cholic acid connectivity of its literature record with the (3alpha,5beta,7alpha,12alpha) configuration of its name. | 2026-11-02 |
| Oxandrolone, 17-TMS | CC12CC3COC(=O)CC3CC1CCC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C (C26H44O3Si) |
CC12COC(=O)C[C@@H]1CCC1C2CCC2(C)C1CC[C@]2(C)O[Si](C)(C)C, C22H38O3Si |
The WebBook drawing has four extra carbons (C26H44O3Si); oxandrolone 17-TMS is C22H38O3Si, the TMS ether of the served oxandrolone. | 2026-11-02 |
| (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | CC12CCC(C)(C1)C1(C)CCCC21C (C10H16) |
C1C[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C1, C10H16 |
exo-Tetrahydrodicyclopentadiene (JP-10, CAS 2825-82-3, C10H16) was served with a C14H24 structure carrying four extra methyls, while its literature record gives the exo tricyclo[5.2.1.0(2,6)]decane. | 2026-11-02 |
| Bismuth oxalate | O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[BiH6+3].[BiH6+3] (C6Bi2O12) |
O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Bi+3].[Bi+3], C6Bi2O12 |
The served structure carries invented hydrogens on bismuth; the record gives plain Bi(3+) ions. | 2026-11-02 |
| 3-Deoxy-2C-(hydroxymethyl)threo-pentonic acid lactone, TMS | CC(C)(C)O[C@]1(CCO[Si](C)(C)C)C[C@@H](CO[Si](C)(C)C)OC1=O (C17H36O5Si2) |
C[Si](C)(C)OC[C@H]1CC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(=O)O1, C15H34O5Si3 |
The kept id takes the right structure, served until now as 123-557-7. | 2026-11-02 |
| Ammonium persulfate | NOS(=O)(=O)OOS(=O)(=O)ON (H8N2O8S2) |
no structure | Ammonium persulfate is a salt of two ammonium ions and peroxodisulfate, while its only source draws a covalent molecule, and no record holds the salt, so it is served without structure and keeps its formula H8N2O8S2. | 2026-11-02 |
| CD2 | [CH2] (CD2) |
no structure | CD2 is dideuteriomethylene, while the served structure is unlabelled methylene, and no record holds a labelled structure, so it is served without structure, keeps its formula CD2 and stays apart from methylene. | 2026-11-02 |
| lead dimyristate | CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[PbH6+2] (C28H54O4Pb) |
CCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCC(=O)[O-].[Pb+2], C28H54O4Pb |
Lead dimyristate is the lead(II) salt of two myristate anions, C28H54O4Pb; the served [PbH6+2] has invented hydrogens. | 2026-11-02 |
| 3A-Hydroxy-5B-androstane-11,17-dione, enol, bis-TMS | C[C@]12CC(=O)C3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CC[C@]34C)C1CCC2O[Si](C)(C)C (C25H46O3Si2) |
no structure | The served structure is a saturated 17-TMS ether with the 11-ketone, not the enol TMS ether the name gives, and no source gives the enol. | 2026-11-02 |
| Red lead | [O]1[O][PbH2][O][PbH2][O][PbH2]1.[O]=[PbH2] (O5Pb4) |
[O]1[O][Pb][O][Pb][O][Pb]1.[O]=[Pb], O5Pb4 |
The WebBook entry named red lead, O5Pb4, was served with a SMILES holding eight hydrogens on lead, while its structure file without them matches the stored formula, mass and InChI. | 2026-11-02 |
| Sodium metaborate | O.O=B[O-].[Na+] (BNaO2) |
O=B[O-].[Na+], BNaO2 |
Sodium metaborate, as its six literature records and stored formula give it, is anhydrous NaBO2, while the served SMILES, InChIKey and molar mass come from a WebBook entry for a hydrate, BH2NaO3, that holds only an IR spectrum. | 2026-11-02 |
| dibenzo[a,h]anthracene-d14 | c1ccc2c(c1)ccc1cc3c(ccc4ccccc43)cc12 (C22H2D12) |
no structure | Dibenzo[a,h]anthracene-d14 is the perdeuterated hydrocarbon, while the served structure is unlabelled and the only labelled drawing carries twelve deuterium atoms, so the structure is removed and the d12 formula is not kept. | 2026-11-02 |
| lead sulphate | O=S(=O)([O-])[O-].[PbH6+2] (O4PbS) |
O=S(=O)([O-])[O-].[Pb+2], O4PbS |
Lead sulfate is an ionic salt with no hydrogen atoms: the served PbH6 cation is wrong. | 2026-11-02 |
| Triethylamine borane | [BH2-][N+](CC)(CC)CC (C6H18BN) |
[BH3-][N+](CC)(CC)CC, C6H18BN |
Triethylamine borane was served with a BH2 group (C6H17BN) while its stored InChI, formula and mass hold the BH3 adduct C6H18BN. | 2026-11-02 |
| cis-isoascaridole | CC(C)C12C=CC(C)(CC1)OO2 (C10H16O2) |
CC(C)C12CCC3(C)OC3C1O2, C10H16O2 |
cis-Isoascaridole was drawn as the peroxide ascaridole; it takes the diepoxide structure Cheméo serves for isoascaridole, stereo-free since cis does not fix all four centres; (Z)-ascaridole is served stereo-free. | 2026-11-02 |
| Oxirane,trans-2,3-diethynyl- | C#C[C@H]1O[C@@H]1C#N (C5H3NO) |
C#CC1OC1C#C, C6H4O |
The served structure has a cyano group where the name gives a second ethynyl group; the compound takes the diethynyloxirane connectivity without stereo because the absolute configuration of the trans form is not given. | 2026-11-02 |
| 24-Methyl-5-«alpha»-cholest-22-en-3-«beta»-ol | CC(C)C(C)C=CC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC21C (C28H48O) |
CC(C)C(C)/C=C/C(C)[C@H]1CCC2C3CC[C@H]4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C, C28H48O |
24-Methyl-5alpha-cholest-22-en-3beta-ol (CAS 59905-70-3) is the C28H48O sterol of its name and stored InChI, while the served SMILES carries an extra ring double bond (C28H46O); the WebBook structure file gives it with the natural 3S,5S,10S,13R,17R steroid centres. | 2026-11-02 |
| L-glucose | OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O.OC[C@@H]1OC(O)[C@H](O)[C@H](O)[C@@H]1O (C12H24O12) |
OC[C@@H]1OC(O)[C@@H](O)[C@H](O)[C@H]1O, C6H12O6 |
The served two-component structure is wrong: L-glucopyranose is one molecule. | 2026-11-02 |
| Laminaritriose: bD-Glcp(1->3)-bDGlcp(1->3)-DGlc, oxime-TMS, isomer # 1 | C[Si](C)(C)OCC(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=NO[Si](C)(C)C)O[Si](C)(C)C (C54H129NO16Si12) |
no structure | The laminaritriose derivatives are drawn with the 1,4-linked cellotriose skeleton and Cheméo has no 1,3-linked structure, so they are served without a structure and keep their formula. | 2026-11-02 |
| 5.beta.-Pregnane-11,20-dione-3.alpha.,21-diol, TMSO-TMS, # 2 | C[C@]12CC(=NO[Si](C)(C)C)C3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC34)C1CC[C@@H]2C(CO[Si](C)(C)C)=NO[Si](C)(C)C (C32H64N2O4Si4) |
no structure | The two trimethylsilyl oxime isomers of 5beta-pregnane-3alpha,21-diol-11,20-dione are drawn by their source without the C19 methyl group, and no record gives the right structure, so they are served without a structure. | 2026-11-02 |
| Phytanic acid, TBDMS | C/C(=C\C(=O)O[Si](C)(C)C(C)(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C (C26H52O2Si) |
no structure | Phytanic acid is the saturated 3,7,11,15-tetramethylhexadecanoic acid, but its TBDMS ester is drawn as the 2-enoate; no record or other id holds the saturated ester, so it is served without a structure. | 2026-11-02 |
| GA84 Methyl ester, [D3], TMS | C=C1C[C@@]23CC1C[C@@H](O[Si](C)(C)C)[C@@H]2[C@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC (C23H34O5Si) |
no structure | A trideuterated derivative served as the unlabelled compound; the label position is not given by any source, so no structure is served. | 2026-11-02 |
| 2,6-Dimethyl-1,6-heptadien-4-ol | C=C(C)CC([O])CC(=C)C (C9H15O) |
C=C(C)CC(O)CC(=C)C, C9H16O |
The served structure is a radical (oxygen without hydrogen); the alcohol 2,6-dimethyl-1,6-heptadien-4-ol has C9H16O. | 2026-11-02 |
| Diphosphorus trihydride | P=[PH3] (H3P2) |
[PH]P, H3P2 |
Diphosphorus trihydride (CAS 12208-07-0) is the P2H3 radical of its stored InChI, formula and mass, while the served SMILES, from a WebBook structure file with four hydrogens, is diphosphene-like H4P2. | 2026-11-02 |
| «alpha»-Mannofuranose, TMS | C[Si](C)(C)OCC1OC(CO[Si](C)(C)C)(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
An aldohexofuranose cannot have the ketose structure served for it, so alpha-mannofuranose TMS takes the stereo-free aldohexofuranose connectivity served in Cheméo. | 2026-11-02 |
| [13C]GA29 methyl ester TMS ether | C=C1CC23CC1(O[Si](C)(C)C)CCC2C12CC(O[Si](C)(C)C)CC(C)(C(=O)O1)C2C3C(=O)OC (C26H42O6Si2) |
no structure | The GA29 catabolite is a different compound from GA29, and the labelled GA29 derivative must keep its isotope label, while both are served as unlabelled GA29 methyl ester TMS ether; neither right structure is in Cheméo's data, so both are served without a structure. | 2026-11-02 |
| 1-Cyclobutylethanol | CC([O])C1CCC1 (C6H11O) |
CC(O)C1CCC1, C6H12O |
The served structure has a radical oxygen with no hydrogen; the alcohol is C6H12O. | 2026-11-02 |
| thallium fluoride | [F-].[TlH2+] (FTl) |
[F-].[Tl+], FTl |
Thallium fluoride (TlF) is Tl+ with F-; the extra hydrogens in the served structure are an artifact. | 2026-11-02 |
| Chrome orange (medium) | O=[Si]=O.[O]=[Cr]1(=[O])[O][PbH2][O]1.[O]=[PbH2] (CrO7Pb2Si) |
O=[Si]=O.[O]=[Cr]1(=[O])[O][Pb][O]1.[O]=[Pb], CrO7Pb2Si |
The served structure carries invented hydrogens on lead; the source record has bare Pb and no H in the formula. | 2026-11-02 |
| 6,15-Diketo-PGF1A, BO-TMS, isomer # 1 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)=NOCCCC (C38H76N2O5Si3) |
no structure | The four isomers of the 6,15-diketo-PGF1alpha bis-butyloxime tris-TMS derivative were drawn with a trimethylsilylmethyl group on a ring carbon in place of a silyl ether, and no record holds the right structure, so they are served without structure. | 2026-11-02 |
| Ammonium hexanitratocerate | NO[N+]([O-])(O[N+](=O)[O-])[O][Ce]([O][N+](=O)[O-])([O][N+](=O)[O-])[O][N+]([O-])(ON)O[N+](=O)[O-] (H4CeN8O18) |
no structure | Ammonium hexanitratocerate is diammonium hexanitratocerate(IV), (NH4)2[Ce(NO3)6], whose correct structure no record carries, so it is served without a structure with its formula CeH8N8O18. | 2026-11-02 |
| Dinocap | CC=CC(=O)Oc1ccccc1[N+](=O)[O-] (C18H24N2O6) |
no structure | Dinocap (CAS 39300-45-3) is a mixture of isooctyl dinitrophenyl crotonate isomers of formula C18H24N2O6, served with the structure of 2-nitrophenyl crotonate (C10H9NO4), so it keeps its formula without a single structure. | 2026-11-02 |
| 3-Pentyn-2-ol, 2-methyl-5-phenoxy- | CC(C)([O])C#CCOc1ccccc1 (C12H13O2) |
CC(C)(O)C#CCOc1ccccc1, C12H14O2 |
The served structure carries an oxygen radical (C12H13O2): the compound is the tertiary alcohol C12H14O2 given by the source InChI. | 2026-11-02 |
| cis,trans-2-Methyl-1-thiadecalin | C[C@H]1CC[C@]2(C)CCCC[C@@]2(C)S1 (C12H22S) |
CC1CCC2CCCCC2S1, C10H18S |
cis,trans-2-Methyl-1-thiadecalin (C10H18S) is drawn by its only source with two extra methyls on the ring fusion (C12H22S), and the 2-methyl-1-thiadecalin skeleton is served under another id, taken here without stereo since no record gives it on the right skeleton. | 2026-11-02 |
| Curzerenone | C=C(C)C1C(=O)c2c(C)coc2CC1(C)CC (C15H18O2) |
C=C[C@@]1(C)Cc2occ(C)c2C(=O)[C@@H]1C(=C)C, C15H18O2 |
Curzerenone (CAS 20493-56-5) is the 6-vinyl compound C15H18O2 of its stored InChI, while the served SMILES has a 6-ethyl group (C15H20O2), and the source names it (5R,6R), the configuration its current structure file draws, whereas its InChI gives the mirror image. | 2026-11-02 |
| Caryophylla-3,8(15)-dien-5«beta»-ol | C=C1CCC(O)C(C)=CCCC(C)(C)CC1 (C15H24O) |
C=C1CC[C@H](O)/C(C)=C\CC2C1CC2(C)C, C15H24O |
Caryophylla-3,8(15)-dien-5beta-ol is the bicyclic C15H24O alcohol of its stored InChI, formula and mass, while the served SMILES is a monocyclic C15H26O structure without the cyclobutane ring. | 2026-11-02 |
| Carbon disulfide cation | S=[C+]=S () |
S=C=[S+], CS2+ |
The carbon disulfide radical cation was served with a SMILES that puts a positive charge on a four-bonded carbon, from which no InChI, formula or mass can be computed; its WebBook InChI gives CS2+ with the served InChIKey. | 2026-11-02 |
| 6,15-Diketo-PGF1A, BO-TMS, isomer # 3 | CCCCCC(/C=C/[C@@H]1[C@H](C[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)=NOCCCC (C38H76N2O5Si3) |
no structure | The 6,15-diketo prostaglandin F1alpha bis-butyloxime tris-TMS derivative carries three silyl ethers, while its only source draws one silyl group on carbon instead of oxygen, so the structure is removed and the formula, which follows that drawing, is not kept. | 2026-11-02 |
| Octahelicene | c1ccc2cc3cc4cc5cc6cc7cc8ccccc8cc7cc6cc5cc4cc3cc2c1 (C34H20) |
no structure | Octahelicene is an ortho-fused helical hydrocarbon, not linear octacene, and no octahelicene structure exists in the data, so it is served with no structure and its formula C34H20. | 2026-11-02 |
| 3Beta,7beta,12beta-trihydroxy-5beta-cholan-24-oic acid | CC(CCC(=O)O)C1CCC2C3C(O)CC4(C)CC(O)CCC4(C)C3CC(O)C12C (C24H40O5) |
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C, C24H40O5 |
3beta,7beta,12beta-Trihydroxy-5beta-cholan-24-oic acid (C24H40O5) was served with a C25H42O5 structure carrying an extra methyl on C5, so it takes the cholic acid connectivity with the configuration its name gives. | 2026-11-02 |
| 2-Propynylidyne | [CH]C#C (C3H2) |
no structure | 2-Propynylidyne is the C3H radical, while its source draws the C3H2 carbene served as propynylidene; no C3H structure is in the data, so it is served without a structure, with its formula C3H. | 2026-11-02 |
| heptanol | CCCCCCCO (C7H16O) |
no structure | Heptanol under CAS 53535-33-4 is the generic, position-unspecified heptanol, so it is served with no structure and the formula C7H16O, kept apart from 1-heptanol. | 2026-11-02 |
| [13C]GA1 methyl ester TMS ether | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@](C)(C(=O)O1)[C@H]2C3C(=O)OC (C26H42O6Si2) |
no structure | The compound is a carbon-13 labelled gibberellin derivative and the served unlabelled structure gives the wrong mass; no source gives the label positions, so it is served without structure. | 2026-11-02 |
| 10-Isobutyryloxy-8,9-epoxythymyl angelate | C/C=C(/C)C(=O)Oc1cc(C)ccc1C1(COC(=O)CC(C)C)CO1 (C20H26O5) |
no structure | The drawing carries an isovaleryl ester where the name says isobutyryl, and no right structure is in the data; it is served without a structure. | 2026-11-02 |
| tin telluride | [SnH2]=[Te] (SnTe) |
[Sn]=[Te], SnTe |
The served SMILES carries two invented hydrogens on tin; the record InChI is the hydrogen-free Sn.Te. | 2026-11-02 |
| Ammonium thiosulfate | NOS(=O)(=S)ON (H4N2O3S2) |
no structure | The served structure is a covalent hydroxylamine ester, not the salt ammonium thiosulfate, and no source gives the salt, so the compound is served without structure and with the formula of the salt. | 2026-11-02 |
| 3.alpha.,17.alpha.,21-trihydroxy-5.beta.-pregnane-20-one | O=C(CO)[C@@]1(O)CCC2C3CC[C@@H]4C[C@H](O)CCC4C3CCC21 (C19H30O4) |
no structure | The served structure lacks the two angular methyl groups of a pregnane, and no served compound carries the named steroid, so no structure is served. | 2026-11-02 |
| Ammonium bisulfate | NOS(=O)(=O)O (H5NO4S) |
no structure | Ammonium bisulfate (CAS 7803-63-6) is the salt of ammonium and hydrogen sulfate, while its only source draws hydroxylamine-O-sulfonic acid, and no record holds the salt, so it is served without structure and keeps its formula H5NO4S. | 2026-11-02 |
| MALTOTRIOSE (11TMS) | C[Si](C)(C)OC[C@@H]1C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[C@H]2C[C@@H](O[Si](C)(C)C)[C@@H](O[C@@H]([C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)O[C@@H]2CO[Si](C)(C)C)O1 (C45H104O14Si9) |
C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[C@H]1O[C@H](CO[Si](C)(C)C)[C@@H](OC2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](C=O)O[Si](C)(C)C, C51H120O16Si11 |
Maltotriose 11TMS was served with a C45H104O14Si9 structure missing two trimethylsilyloxy groups, and takes the C51H120O16Si11 open-chain maltotriose 11TMS structure of its sibling entries. | 2026-11-02 |
| Vomifoliol, .beta.-D-glucopyranoside, TFA | CC(/C=C/C1(OC(=O)C(F)(F)F)C=CC(=O)CC1(C)C)O[C@@H]1O[C@H](COC(=O)C(F)(F)F)[C@@H](OC(=O)C(F)(F)F)[C@H](OC(=O)C(F)(F)F)[C@H]1OC(=O)C(F)(F)F (C28H23F15O13) |
no structure | The source drops a ring methyl of vomifoliol, and the number of trifluoroacetyl groups is not given by the name, so the glucoside derivative is served without a structure and the formula, which follows the drawing, is not kept. | 2026-11-02 |
| 4-.beta.-Hydro-germacra-1(10),5-diene | C=C1CCC(C(C)C)C/C=C(\C)[C@@H](O)CC1 (C15H26O) |
CC1=CCCC(C)(O)C=CC(C(C)C)CC1, C15H26O |
4beta-Hydroxygermacra-1(10),5-diene takes the structure its merged synonyms serve. | 2026-11-02 |
| Rhodium, di-«mu»-bromobis[(1,2,5,6-«eta»)-1,5-cyclooctadiene]di- | Br.Br.C1=CCCC=CCC1.C1=CCCC=CCC1.[Rh].[Rh] (C16H24Br2Rh2) |
C1=CCCC=CCC1.C1=CCCC=CCC1.[Br-].[Br-].[Rh+].[Rh+], C16H24Br2Rh2 |
The bromo(1,5-cyclooctadiene)rhodium dimer is served with a SMILES that adds a hydrogen to each bromine (C16H26Br2Rh2); the corrected SMILES from its InChI gives the stored InChI and formula C16H24Br2Rh2. | 2026-11-02 |
| Palatinose, TMS | C[Si](C)(C)CC[C@H]1O[C@H](OC[C@H]2O[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C (C33H78O9Si7) |
no structure | The served structure of the trimethylsilyl palatinose is chemically wrong and no record gives the right one, so it is served without a structure. | 2026-11-02 |
| Lead carbonate | O=C1[O][PbH2][O]1 (CO3Pb) |
O=C([O-])[O-].[Pb+2], CO3Pb |
Lead carbonate is the ionic salt PbCO3, not a covalent PbH2 species with added hydrogens. | 2026-11-02 |
| Acetone, methylthio, PFBO # 1 | CC(CS)=NOCc1c(F)c(F)c(F)c(F)c1F (C10H8F5NOS) |
CSCC(C)=NOCc1c(F)c(F)c(F)c(F)c1F, C11H10F5NOS |
The kept id takes the right structure, served until now as 124-281-2. | 2026-11-02 |
| 24-Hydroxy-4-cholesten-3-one, enol-bis-TMS | CC(C)C(CC[C@H](C)C1CCC2C3CCC4=C[C@@H](O[Si](C)(C)C)CCC4(C)C3CCC21C)O[Si](C)(C)C (C33H62O2Si2) |
no structure | The enol bis-TMS derivative of 24-hydroxycholest-4-en-3-one is a silyl dienol ether, but every source drew the reduced 3-silyloxy-4-ene, so the compound is served without a structure and without a formula. | 2026-11-02 |
| (Z)-.beta.-Damascone | C=C1CCCC(C)(C)C1C(=O)/C=C\C (C13H20O) |
C/C=C\C(=O)C1=C(C)CCCC1(C)C, C13H20O |
The served structure is the exocyclic-methylene isomer, while the name is the Z isomer of beta-damascone with the ring double bond. | 2026-11-02 |
| (R)-2-butyl-D-Ara, TMS | CCCCO[C@@H](C=O)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C (C18H42O5Si3) |
no structure | The name describes the tri-TMS ether of the (R)-2-butyl glycoside of D-arabinose, but the drawing is an open-chain n-butyl ether; the right structure is held by no record or other id, so it is served without a structure, with its formula C18H42O5Si3. | 2026-11-02 |
| Copper, bis(2,4-pentanedionato-O,O')-, (SP-4-1)- | CC(=O)C=C(C)[O-].CC(=O)C=C(C)[O-].[Cu] (C10H14CuO4) |
CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].[Cu+2], C10H14CuO4 |
The merge target 61-969-9 is served with neutral copper and two enolate anions, a net charge of -2, so its structure is taken from its stored InChI, the copper(II) bis(Z-enolate) of the WebBook. | 2026-11-02 |
| (Z)-1-Chloro-2-fluoroethene | FC=C(F)Cl (C2H2ClF) |
F/C=C\Cl, C2H2ClF |
(Z)-1-Chloro-2-fluoroethene (C2H2ClF) is served as 1-chloro-1,2-difluoroethene (C2HClF2); it takes the 1-chloro-2-fluoroethene connectivity served as 29-842-5 with the (Z) geometry of its name. | 2026-11-02 |
| Sodium perchlorate | O.[O-][Cl+3]([O-])([O-])[O][Na] (ClNaO4) |
[Na+].[O-][Cl+3]([O-])([O-])[O-], ClNaO4 |
Sodium perchlorate (NaClO4, 122.44) is served with the monohydrate SMILES and mass of a WebBook entry, while its stored InChI, formula and literature records give the anhydrous salt. | 2026-11-02 |
| Sucrose, TMS | C[Si](C)(C)OCC1O[C@H](O[C@]2(O[Si](C)(C)C)OC(CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C (C35H84O11Si8) |
C[Si](C)(C)OC[C@H]1O[C@@](CO[Si](C)(C)C)(O[C@H]2O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C, C36H86O11Si8 |
The served structure lacks one carbon (C35 instead of C36) and the name Sucrose, TMS implies octakis-TMS natural sucrose. | 2026-11-02 |
| Chrome yellow (primose) | O=S1(=O)[O][PbH2][O]1.[O]=[Cr]1(=[O])[O][PbH2][O]1 (CrO8Pb2S) |
no structure | Primrose chrome yellow is a commercial pigment of lead chromate with lead sulfate in variable proportion, a substance without one structure or formula. | 2026-11-02 |
| Syn-tricyclo[3.2.0.0(2,4)]heptane | CC12CC1C1CCC12 (C7H10) |
no structure | Syn-tricyclo[3.2.0.0(2,4)]heptane is C7H10, while its source draws a methylated C8H12 skeleton, and no served compound holds the C7H10 connectivity, so it is served without structure and keeps its formula, apart from the anti isomer. | 2026-11-02 |
| (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-octahydro-4,7-methano-1H-indene | CC12CCC(C)(C1)C1(C)CCCC21C (C10H16) |
C1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1, C10H16 |
One substance, endo-tetrahydrodicyclopentadiene (CAS 2825-83-4), which takes the endo configuration a literature record gives instead of the C14H24 drawing and the stereo-free form. | 2026-11-02 |
| Tricyclo[4.2.1.02,5]non-3-ene,(1«alpha»,2«beta»,5«beta»,6«alpha»)- | CC12CCC(C)(C1)C1(C)C=CC21C (C9H12) |
C1=C[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]12, C9H12 |
Tricyclo[4.2.1.0(2,5)]non-3-ene (1alpha,2beta,5beta,6alpha), C9H12, is drawn by its only source with four extra methyl groups (C13H20); it takes the non-3-ene connectivity served as 22-343-6 with the configuration of its name. | 2026-11-02 |
| Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)- | CCCCC(=O)OC1CC(C)CCC1C(C)C (C15H28O2) |
no structure | Menthyl isovalerate (CAS 89-47-4) is drawn as menthyl valerate, a different ester; the 3-methylbutanoate is in no record or other id, so it is served without a structure, with its formula C15H28O2. | 2026-11-02 |
| Tris(di-n-butyldithiocarbamato)arsenic(III) | CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[AsH6+3] (C27H54AsN3S6) |
CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[As+3], C27H54AsN3S6 |
The served SMILES gives the arsenic six invented hydrogens ([AsH6+3]); the source structure has a bare As(3+) with three dithiocarbamate anions, formula C27H54AsN3S6. | 2026-11-02 |
| neoiso(iso)pulegol | CC(C)=C1CCC(C)CC1O (C10H18O) |
C=C(C)C1CCC(C)CC1O, C10H18O |
Neoisopulegol and neoisoisopulegol are stereoisomers of isopulegol, with an isopropenyl group, while the compound is served with the isopropylidene structure of pulegol; it takes the stereo-free isopulegol structure since the name leaves the isomer open. | 2026-11-02 |
| 24-Methylenecholesterol, TMS | C=C(CCC(C)C)[C@H](C)[C@H]1CC[C@H]2C3CCC4C[C@@H](O[Si](C)(C)C)CC[C@]4(C)[C@H]3CC[C@]12C (C31H56OSi) |
no structure | The served drawing is a 22-methylene saturated cholestane, not 24-methylenecholesterol, and no right structure of this TMS ether is in the data; it is served without a structure. | 2026-11-02 |
| Lead hydrogen phosphite | OP1[O][PbH2][O]1 (HO3PPb) |
OP1[O][Pb][O]1, HO3PPb |
The served structure has extra hydrogens on lead; the formula HO3PPb and the WebBook structure are one hydroxy phosphite ring. | 2026-11-02 |
| [2H3]Dihydrozeatin nucleotide, permethylated | COCC(C)CCN(C)c1ncnc2c1ncn2[C@@H]1CC(OC)[C@H](COC)O1 (C19H31N5O4) |
no structure | The trideuterated compound was served with an unlabelled structure, and no source gives the label position, so it keeps its data without a structure. | 2026-11-02 |
| Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 2, TFA | COC(=O)c1ccccc1OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F (C22H14F12O12) |
no structure | The two pentosyl glucosides of methyl salicylate were served with the structure of the plain glucoside, which lacks the pentose, and Cheméo's data holds no pentosyl glucoside structure, so they are served without one. | 2026-11-02 |
| 5-Pregnen-3,17,20-triol, MeTMS | CC(O[Si](C)(C)C)[C@H]1C(O[Si](C)(C)C)CC2C3CC=C4CC(O[Si](C)(C)C)CC[C@]4(C)C3CC[C@@]21C (C30H58O3Si3) |
CC(O[Si](C)(C)C)C1(O[Si](C)(C)C)CCC2C3CC=C4CC(O[Si](C)(C)C)CCC4(C)C3CCC21C, C30H58O3Si3 |
The name gives the 3,17,20-triol while the source drew the 16-ether, so the compound takes the stereo-free 3,17,20-tris(trimethylsilyl) ether connectivity Cheméo serves, kept apart from its stereo-specific entry. | 2026-11-02 |
| «alpha»-D-Altrose, pyranose, TMS | C[Si](C)(C)OC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C20H50O6Si5) |
C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C, C21H52O6Si5 |
The served structure is a pentose ring with five TMS groups, but the names are hexoses (altrose, mannose) with a CH2OTMS group; the hexose structure is rebuilt from the name. | 2026-11-02 |
| 2-hexylcyclohexan-1-one | O=C1CCCCC1C1CCCCC1 (C12H22O) |
no structure | 2-Hexylcyclohexan-1-one (CAS 24848-00-8, C12H22O) was served as 2-cyclohexylcyclohexanone, and no hexylcyclohexanone structure exists in the data, so it is served with no structure and its formula C12H22O. | 2026-11-02 |
| 2,4,6-Tri-O-acetyl-1,5-Anhydro-3-O-methyl-D-mannitol | CO[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)COC(OC(C)=O)[C@@H]1C (C14H22O8) |
no structure | The tri-O-acetyl-1,5-anhydro-3-O-methyl-D-mannitol was drawn as a C-methyl pyranose acetal of another formula, and no right structure exists in the data, so it is served without a structure. | 2026-11-02 |
| 5-epi-Neointermedeol | CC(C)C1CCC2(C)CCCC(C)(O)C2C1 (C15H28O) |
C=C(C)C1CCC2(C)CCCC(C)(O)C2C1, C15H26O |
5-epi-Neointermedeol is an epimer of neointermedeol and shares its eudesm-11-en-4-ol connectivity (C15H26O), so it takes that connectivity without stereo, because its configuration is not settled in the data. | 2026-11-02 |
| Methyl galactofuranoside, TMS | C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
no structure | A methyl galactofuranoside has a methoxy group and four silylated hydroxyls, but the served structure is a pentakis-TMS hexofuranose without the methyl, and the right structure is not in the database. | 2026-11-02 |
| Pulegol | C=C(C)C1CCC(C)CC1O (C10H18O) |
CC(C)=C1CCC(C)CC1O, C10H18O |
Pulegol (CAS 529-02-2, 5-methyl-2-(1-methylethylidene)cyclohexanol) is served with the isopropenyl structure of isopulegol, and the database already serves the pulegol skeleton under cis-pulegol, taken here without stereo since CAS 529-02-2 states none. | 2026-11-02 |
| L(+)-Bornesitol, TMS | C[Si](C)(C)OC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C24H60O6Si6) |
COC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C22H54O6Si5 |
The O-methylinositol pentakis-TMS ethers take the stereo that their WebBook structure files draw, and bornesitol and unspecified ononitol keep the stereo-free structure. | 2026-11-02 |
| Methylene, 1-amino- | [CH2]N (CH4N) |
no structure | Aminomethylene is the carbene HC-NH2 (CH3N), not the aminomethyl radical, and its structure is not in the database, so it is served with no structure and its own formula. | 2026-11-02 |
| Lead silicate | O=[Si]1[O][PbH2][O]1.[OH][PbH2][OH] (H2O5Pb2Si) |
O=[Si]1[O][Pb][O]1.[OH][Pb][OH], H2O5Pb2Si |
This lead silicate entry was served with four extra hydrogens on lead (H6O5Pb2Si) while its WebBook structure file and InChI give H2O5Pb2Si, the stored formula and mass. | 2026-11-02 |
| Bis(diisopropyldithiocarbamate) nickel complex | CC(C)N(C1=[SH][Ni]2([S]1)[S]C(N(C(C)C)C(C)C)=[SH]2)C(C)C (C14H28N2NiS4) |
CC(C)N(C1=[S][Ni]2([S]1)[S]C(N(C(C)C)C(C)C)=[S]2)C(C)C, C14H28N2NiS4 |
Bis(diisopropyldithiocarbamato)nickel was served with hydrogens on two sulfur atoms (C14H30N2NiS4), while its WebBook structure file and InChI give C14H28N2NiS4, the stored formula. | 2026-11-02 |
| Me-dihydrophaseic acid-Ac | CC(=O)OC1C[C@]2(C)CO[C@@](C)(C1)[C@]2(O)/C=C/C(C)=C\C(=O)O (C17H24O6) |
COC(=O)C=C(C)C=CC1(O)C2(C)COC1(C)CC(OC(C)=O)C2, C18H26O6 |
Me-dihydrophaseic acid-Ac is the methyl ester of 4'-O-acetyl dihydrophaseic acid (C18H26O6), but its only source draws the free acid (C17H24O6), so it takes the methyl ester acetate connectivity served under another id, without stereo. | 2026-11-02 |
| (+)-Isobicyclogermacrene | C/C1=C/C[C@H]2[C@H](/C=C(/C)CCC1)C2(C)C (C15H24) |
C/C1=C/C2C(CC/C(C)=C/CC1)C2(C)C, C15H24 |
(+)-Isobicyclogermacrene was drawn by its only source as a bicyclo[8.1.0]undeca-2,7-diene, while isobicyclogermacrene is the (2Z,6E) 3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene served under another id, so it takes that structure without the ring centres, since the sign does not say which enantiomer. | 2026-11-02 |
| aluminum nitride | N#[AlH3] (AlN) |
no structure | Aluminum nitride is the network solid AlN, while the served SMILES is an AlH3N molecule, so it is served without structure and keeps its formula AlN. | 2026-11-02 |
| Bicyclo[2.2.1]heptan-2-ol, 2,7,7-trimethyl, endo | C[C@H]1CC2CCC1(O)C2(C)C (C10H18O) |
CC1(O)CC2CCC1C2(C)C, C10H18O |
The kept id takes the right structure, served until now as 70-796-1. | 2026-11-02 |
| Carbon monosulfide | [C]#[SH] (CS) |
[C]#[S], CS |
Carbon monosulfide is CS without an added hydrogen, as in the structure file. | 2026-11-02 |
| dithallium sulphate | O=S(=O)([O-])[O-].[TlH2+].[TlH2+] (O4STl2) |
O=S(=O)([O-])[O-].[Tl+].[Tl+], O4STl2 |
Thallium(I) cations carry no hydrogens: the served structure had hydrogens added to the thallium atoms. | 2026-11-02 |
| Ammonium nitrate | NO[N+](=O)[O-] (H4N2O3) |
[NH4+].[O-][N+](=O)[O-], H4N2O3 |
Ammonium nitrate is the salt NH4+ NO3- given by its fifteen literature records, while the served SMILES is an O-amino nitrate H2N2O3 and the stored InChI a covalent H4N2O3 isomer from the WebBook. | 2026-11-02 |
| L-Mannitol | OC[C](O)[C](O)[C](O)[C](O)CO (C6H14O6) |
OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO, C6H14O6 |
L-Mannitol (CAS 643-01-6) is the C6H14O6 hexitol of its stored formula and mass, but its only record draws a dehydrogenated C6H10O6 structure, so it takes the mannitol connectivity served under another id with the L configuration of its name. | 2026-11-02 |
| zirconium tetrafluoride | F.F.F.[F-].[Zr] (F4Zr) |
[F-].[F-].[F-].[F-].[Zr+4], F4Zr |
Zirconium tetrafluoride is ZrF4, as its literature record and stored formula give it, while the served SMILES, from a WebBook InChI, carries three hydrogens and a negative charge (H3F4Zr-). | 2026-11-02 |
| [14C1]GA1 methyl ester TMS ether | C=C1C[C@]23C[C@@]1(O[Si](C)(C)C)CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC (C26H42O6Si2) |
no structure | [14C1]GA1 methyl ester TMS ether is a carbon-14 labelled compound, and no record or stored identifier gives the labelled structure, so it is served without a structure, keeping its formula and its measured data. | 2026-11-02 |
| Diisopropylamine | CC(O)CNCC(C)O (C6H15NO2) |
CC(C)NC(C)C, C6H15N |
The kept id takes the right structure, served until now as 69-957-4. | 2026-11-02 |
| 2-Methyldecalin, cis | CC1CCCC2CCCCC12 (C11H20) |
CC1CC[C@H]2CCCC[C@H]2C1, C11H20 |
The two methyldecalins are different constitutions, 1-methyl and 2-methyl, so they are not the same substance; each name gives the cis ring fusion. | 2026-11-02 |
| 3-(Methylthio)benzoic pentafluoropropionic anhydride | CSc1ccccc1C(=O)OC(=O)C(F)(F)C(F)(F)F (C11H7F5O3S) |
no structure | The 3-(methylthio) anhydride is drawn as the 2-(methylthio) isomer, served correctly under its own id, and the meta structure is in no Cheméo record, so it is served without a structure and keeps its formula. | 2026-11-02 |
| «beta»-Amorphene | CC1=CC2C(CC1)C(C)=CCC2C(C)C (C15H24) |
CC1=CCC2C(C)=CCC(C(C)C)C2C1, C15H24 |
beta-Amorphene was drawn with the alpha-type 4,9-diene skeleton shared by amorphene and epi-alpha-muurolene; it takes the beta-type 1,2,4a,5,8,8a-hexahydronaphthalene connectivity served under another id, without stereo since no record gives its configuration on that skeleton. | 2026-11-02 |
| «gamma»-Himalachene | C=C1CCCC(C)(C)C2C=C(C)CCC12 (C15H24) |
CC1=CC2C(CC1)C(C)=CCCC2(C)C, C15H24 |
The two ids are different substances: the CAS 3853-83-6 entry is alpha-himachalene (exocyclic methylene), while gamma-himachalene has four methyls. | 2026-11-02 |
| Ethane, tetrachloro- | ClC(Cl)C(Cl)Cl (C2H2Cl4) |
no structure | Tetrachloroethane with CAS 25322-20-7 is the generic isomer mixture, not 1,1,2,2-tetrachloroethane. | 2026-11-02 |
| Octadecene | C=CCCCCCCCCCCCCCCCC (C18H36) |
no structure | CAS 27070-58-2 and the name octadecene are generic (position of the double bond unspecified), so it is not 1-octadecene. | 2026-11-02 |
| (E,Z)-Marticaria ester | C=CC(=O)OC/C=C\C#CC#C/C=C/C(=O)OC (C14H12O4) |
C/C=C\C#CC#C/C=C/C(=O)OC, C11H10O2 |
(E,Z)-Matricaria ester is methyl (2E,8Z)-deca-2,8-diene-4,6-diynoate, C11H10O2, served under 79-178-8 and 79-098-7; its WebBook entry drew a C14H12O4 acrylate whose mass does not fit its retention index. | 2026-11-02 |
| Meso 1,2,6,7-cyclodecatetraene | CC1=C=C(C)CCC(C)=C=C(C)CC1 (C10H12) |
C1=C=CCCC=C=CCC1, C10H12 |
meso-1,2,6,7-Cyclodecatetraene (CAS 30154-99-5, C10H12) was served with a tetramethyl derivative (C14H20) drawn by its WebBook InChI, so it takes the cyclodecatetraene connectivity served under another id; its meso allene configuration cannot be written in the SMILES. | 2026-11-02 |
| Furoic acid, methyl ester | COC(=O)c1ccco1 (C6H6O3) |
no structure | The name furoic acid methyl ester and CAS 1334-76-5 do not specify the 2- or 3-position, so it is not methyl 2-furoate. | 2026-11-02 |
| isopropylnaphthalene | CC(C)c1cccc2ccccc12 (C13H14) |
no structure | The isopropylnaphthalene of CAS 29253-36-9 is the generic mixture of isomers, not the 1-isomer. | 2026-11-02 |
| Bisabolene | C=C(CCC=C(C)C)C1CC=C(C)CC1 (C15H24) |
no structure | Bisabolene without a prefix is a mix of isomers, and (E)-beta-bisabolene cannot be the beta isomer drawn since beta-bisabolene has no E or Z double bond, so both are served without structure and with the formula C15H24. | 2026-11-02 |
| Nonylphenol | CC(C)CC(C)CC(C)c1ccc(O)cc1 (C15H24O) |
no structure | Nonylphenol with CAS 25154-52-3 is a mixture of branched isomers, not the 1,3,5-trimethylhexyl isomer. | 2026-11-02 |
| 5.beta.-Pregnane-11,20-dione-3.alpha.,21-diol, TMSO-TMS, # 1 | C[C@]12CC(=NO[Si](C)(C)C)C3C(CC[C@@H]4C[C@H](O[Si](C)(C)C)CCC34)C1CC[C@@H]2C(CO[Si](C)(C)C)=NO[Si](C)(C)C (C32H64N2O4Si4) |
no structure | The two trimethylsilyl oxime isomers of 5beta-pregnane-3alpha,21-diol-11,20-dione are drawn by their source without the C19 methyl group, and no record gives the right structure, so they are served without a structure. | 2026-11-02 |
| Dipropylene glycol, # 1 | CC(O)COCC(C)O (C6H14O3) |
no structure | Dipropylene glycol number 1 is a technical isomer mixture, so it has no single structure, and three records on the other id describe a different compound. | 2026-11-02 |
| 2H6-SALICYLIC ACID (2TMS) | C[Si](C)(C)OC(=O)c1ccccc1C(=O)O[Si](C)(C)C (C14H18D4O4Si2) |
no structure | The labelled salicylic acid bis(trimethylsilyl) derivative was drawn by its source as ring-deuterated phthalic acid bis(trimethylsilyl) ester, another compound, and no record holds the salicylic structure, so it is served without one. | 2026-11-02 |
| germanium sulphide | [S]=[GeH2] (GeS) |
no structure | Germanium monosulfide is GeS, but it is drawn with two hydrogens on germanium; the right structure is held by no record or other id, so it is served without a structure, with its formula GeS. | 2026-11-02 |
| Cyclohexanone, 4-methyl- | CC1CCC(=O)CC1 (C7H12O) |
no structure | CAS 1331-22-2 denotes methylcyclohexanone without position, so it is not the 4-methyl isomer served. | 2026-11-02 |
| Tin(II) chloride | [Cl][SnH2][Cl] (Cl2Sn) |
[Cl][Sn][Cl], Cl2Sn |
Tin(II) chloride is SnCl2 with no hydrogens on tin: the served SMILES adds two hydrogens that the formula Cl2Sn and every source lack. | 2026-11-02 |
| Pluronic f-68 | OCCO (C2H6O2) |
no structure | Pluronic F-68 is a block copolymer with no single structure, not ethylene glycol. | 2026-11-02 |
| trans-2-Ethyl-5-methyl-1,3-oxathiolane | CC1CSC(C)O1 (C6H12OS) |
no structure | trans-2-Ethyl-5-methyl-1,3-oxathiolane is drawn as 2,5-dimethyl-1,3-oxathiolane; the ethyl compound is in no record or other id, so it is served without a structure, with its formula C6H12OS. | 2026-11-02 |
| 1,4:5,8-Dimethanonaphthalen-9-ol, decahydro-, stereoisomer | [O]C1C2CCC1C1C3CCC(C3)C21 (C12H18O) |
OC1C2CCC1C1C3CCC(C3)C21, C12H18O |
Both decahydro-1,4:5,8-dimethanonaphthalen-9-ol stereoisomers are served with an oxyl radical SMILES ([O], C12H17O) while their stored InChI and formula are the alcohol C12H18O. | 2026-11-02 |
| piperidinone | O=C1CCCCN1 (C5H9NO) |
no structure | Piperidinone without locant covers the 2-, 3- and 4-isomers, so it is not the 2-piperidone lactam served. | 2026-11-02 |
| Tetradecene | C=CCCCCCCCCCCCC (C14H28) |
no structure | The CAS 26952-13-6 denotes tetradecene of unspecified double bond position, so no single structure applies. | 2026-11-02 |
| Pentosyl «beta»-D-glucopyranoside of methyl salicylate, isomer # 1, TFA | COC(=O)c1ccccc1OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F (C22H14F12O12) |
no structure | The two pentosyl glucosides of methyl salicylate were served with the structure of the plain glucoside, which lacks the pentose, and Cheméo's data holds no pentosyl glucoside structure, so they are served without one. | 2026-11-02 |
| 1-Phenyl-1-cyclohexene | C1=C(c2ccccc2)CCCC1 (C12H14) |
no structure | CAS 31017-40-0, cyclohexenylbenzene with unspecified double-bond position, is served without one isomer's structure, and the strained trans-1-phenylcyclohexene stays apart from 1-phenylcyclohexene because no record carries its ring configuration. | 2026-11-02 |
| 3,18,20-Trioxo-11«beta»,17«alpha»,21-trihydroxy-4-pregnene, MO-TMS, syn | CON=CC12CCC(=NOC)C=C1CCC1C2C(O[Si](C)(C)C)CC2(C)C1CCC2(O[Si](C)(C)C)C(CO[Si](C)(C)C)=NOC (C33H61N3O6Si3) |
no structure | The name gives the 18-oxo cortisol tris-methoxime tris-TMS derivative while the source draws the 19-oxo isomer; the 18-oxo structure is in no record or other id, so both oxime isomers are served without a structure, with the formula C33H61N3O6Si3 their name and stored formula share. | 2026-11-02 |
| 6-Keto-PGF1A, BO-TMS, isomer # 1 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)O[Si](C)(C)C (C37H77NO5Si4) |
no structure | Both structure files draw a carbon where the 11-hydroxy oxygen of 6-keto-PGF1alpha bears its TMS group, and no source holds the right structure, so both isomers are served without one. | 2026-11-02 |
| linalool oxide II | C=CC1(C)CCC(C(=C)C)O1 (C10H16O) |
C=CC1(C)CCC(C(C)(C)O)O1, C10H18O2 |
Linalool oxide II has the furanoid linalool oxide structure its retention indices give, not the anhydro oxide. | 2026-11-02 |
| Molybdenum iodide | I.I.I.[I-].[Mo] (I4Mo) |
no structure | Molybdenum tetraiodide was served as three hydrogen iodide molecules with an iodide and a metal atom, a structure that is certainly wrong; it is served without structure, with its formula I4Mo. | 2026-11-02 |
| Carenol | CC1=CCC2C(C1O)C2(C)C (C10H16O) |
no structure | Carenol names no position for the hydroxyl or the double bond, so it is served without one isomer's structure. | 2026-11-02 |
| 6,15-Diketo-PGF1A, BO-TMS, isomer # 2 | CCCCCC(/C=C/[C@@H]1[C@H](C[Si](C)(C)C)C[C@H](O[Si](C)(C)C)[C@H]1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)=NOCCCC (C38H76N2O5Si3) |
no structure | The drawn structure carries a trimethylsilylmethyl group in place of a trimethylsilyl ether on the ring, so it is served without structure; its stored formula follows that wrong drawing and is not given. | 2026-11-02 |
| Bromofluoroborane | FBBr (BBrF) |
no structure | The JANAF species BBrF was served with an added hydrogen on boron, a structure that is certainly wrong; it is served without structure, with its formula BBrF. | 2026-11-02 |
| hexyl-d11 acetate | CCCCCCO (C6H3D11O) |
no structure | Hexyl-d11 acetate is drawn as hexanol-d11 and its retention index is that of hexyl acetate, so it is served without a structure; hexanol-d3 keeps its three deuterium labels, which its record and stored InChI carry. | 2026-11-02 |
| Potassium metabisulfite | O=S([O][K])OS(=O)[O][K] (K2O5S2) |
O=S([O][K])S(=O)(=O)[O][K], K2O5S2 |
Potassium metabisulfite has an S-S bond, as in the literature record, not the S-O-S pyrosulfite connectivity served. | 2026-11-02 |
| orange lead | [O]1[PbH2][O][Pb]2[O][Pb]1[O]2 (O4Pb3) |
[O].[O].[O].[O].[Pb].[Pb].[Pb], O4Pb3 |
The served structure carries two invented hydrogens on lead: the oxide is rebuilt as its four oxygens and three lead atoms, matching its CAS 1314-41-6. | 2026-11-02 |
| zirconium orthosilicate | [O-][Si](O)(O)O.[Zr] (O4SiZr) |
no structure | Zirconium orthosilicate was served as a trihydrogen silicate anion beside a neutral zirconium atom, a structure that is certainly wrong; it is served without structure, with its formula O4SiZr. | 2026-11-02 |
| beryllium hydroxide | [Be][OH] (BeH2O2) |
no structure | Beryllium hydroxide was served as the monohydroxide BeOH, a structure that is certainly wrong; it is served without structure, with its formula BeH2O2. | 2026-11-02 |
| Copper monohydride | [Cu] (CuH) |
[CuH], HCu |
Copper monohydride has the formula CuH and the hydride must be in its structure, unlike elemental copper. | 2026-11-02 |
| Titanium monohydride | [Ti] (HTi) |
[TiH], HTi |
Titanium monohydride is TiH, as the WebBook InChI and formula give it, while the served structure is a bare titanium atom. | 2026-11-02 |
| dimethylurea | CNC(=O)NC (C3H8N2O) |
no structure | The name dimethylurea with CAS 1320-50-9 does not say which isomer, so it has no single structure. | 2026-11-02 |
| Phenylpropanol | OCCCc1ccccc1 (C9H12O) |
no structure | Phenylpropanol without a locant is a mix of positional isomers, so it is not the 3-phenylpropan-1-ol structure served. | 2026-11-02 |
| Isocurcumenol | CC1=CC2(O)OC3(CC2=C(C)C)C(C)CCC13 (C15H22O2) |
C=C1CC2(O)OC3(CC2=C(C)C)C(C)CCC13, C15H22O2 |
Isocurcumenol is the exocyclic-methylene isomer of curcumenol, not curcumenol itself; Cheméo serves that connectivity under another id, so isocurcumenol takes it without configuration, and curcumenol stays as served. | 2026-11-02 |
| 6,15-Diketo-PGF1A, BO-TMS, isomer # 4 | CCCCCC(C=CC1C(C[Si](C)(C)C)CC(O[Si](C)(C)C)C1CC(CCCCC(=O)O[Si](C)(C)C)=NOCCCC)=NOCCCC (C38H76N2O5Si3) |
no structure | The four isomers of the 6,15-diketo-PGF1alpha bis-butyloxime tris-TMS derivative were drawn with a trimethylsilylmethyl group on a ring carbon in place of a silyl ether, and no record holds the right structure, so they are served without structure. | 2026-11-02 |
| Isomethylionone | CC(=O)C(C)=CC1C(C)=CCCC1(C)C (C14H22O) |
no structure | The generic name 'isomethylionone' covers several isomers (alpha, beta, gamma) and has no single structure. | 2026-11-02 |
| Heptadecanol | CCCCCCCCCCCCCCCCCO (C17H36O) |
no structure | The name heptadecanol and CAS 52783-44-5 are generic (position unspecified), so it is not 1-heptadecanol. | 2026-11-02 |
| Dehydroisocarveol | CC1C(O)CC2CC1C2(C)C (C10H18O) |
no structure | Dehydroisocarveol is a p-menthane compound, not the bicyclic pinanol its only record draws, and no structure for it exists in the data, so it is served without structure. | 2026-11-02 |
| (6R)-Hydroxy-«beta»-caryophyllene | C=C1CCC(O)C(C)=CCC2C1CC2(C)C (C15H24O) |
no structure | The source's drawing and the standard numbering of the name disagree on the hydroxyl position, so no structure is served. | 2026-11-02 |
| 1-Ethenyl-1-methyl-2,4-bis-(1-methylethenyl)-1S-1«alpha»,2«beta»,4«alpha»-cyclohexane | CC (C2H6) |
C=C[C@]1(C)CC[C@H](C(=C)C)C[C@H]1C(=C)C, C15H24 |
The elemene diastereomer was served with the structure of ethane, which a wrong WebBook page InChI introduced. | 2026-11-02 |
| Elemene isomer | C=CC1(C)CCC(=C(C)C)CC1C(=C)C (C15H24) |
no structure | Gamma-elemene named (1R-trans) receives its configuration, and the unnamed elemene isomer has no definite structure. | 2026-11-02 |
| Deanol acetamidobenzoate | CC(=O)Nc1ccc(C(=O)O)cc1 (C9H9NO3) |
no structure | Deanol acetamidobenzoate is the 1:1 salt of 4-acetamidobenzoic acid with 2-(dimethylamino)ethanol, while its source draws the acid alone; the salt structure is in no record or other id, so it is served without a structure and kept apart from acedoben. | 2026-11-02 |
| (E)-3-Heptenal | CCC=CCC=O (C6H10O) |
CCC/C=C/CC=O, C7H12O |
The compound is named (E)-3-heptenal but carries the hexenal structure. | 2026-11-02 |
| Octane, 2,6-dimethyl-, hexadehydro deriv. | C=CC(C)=CCC=C(C)C (C10H16) |
no structure | The name 2,6-dimethyloctane hexadehydro derivative with CAS 29714-87-2 is a generic ocimene, not one isomer. | 2026-11-02 |
| Caffeoylquinic acid, TMS | C[Si](C)(C)OC(=O)C1(O[Si](C)(C)C)CC(OC(=O)C=Cc2ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c2)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1 (C34H66O9Si6) |
no structure | The name caffeoylquinic acid does not state the position of the ester, so no single structure exists. | 2026-11-02 |
| disodium molybdate | O.O.[Mo].[Na].[Na].[OH-].[OH-] (MoNa2O4) |
[Na+].[Na+].[O]=[Mo](=[O])([O-])[O-], MoNa2O4 |
The served structure is a hydroxide dihydrate drawing; the substance is sodium molybdate Na2MoO4 as in every record (CAS 7631-95-0). | 2026-11-02 |
| «gamma»-Campholene aldehyde | CC1=CCC(CC=O)C1(C)C (C10H16O) |
C=C1CCC(CC=O)C1(C)C, C10H16O |
The kept id takes the right structure, served until now as 79-703-4. | 2026-11-02 |
| Lilac alcohol (isomer II) | C=CC1(C)CCC(C(C)C=O)O1 (C10H16O2) |
C=CC1(C)CCC(C(C)CO)O1, C10H18O2 |
Lilac alcohol isomers I and II are the alcohols, C10H18O2, and their retention indices match them, while their source records carry the lilac aldehyde structure. | 2026-11-02 |
| Lilac alcohol (isomer I) | C=CC1(C)CCC(C(C)C=O)O1 (C10H16O2) |
C=CC1(C)CCC(C(C)CO)O1, C10H18O2 |
Lilac alcohol isomers I and II are the alcohols, C10H18O2, and their retention indices match them, while their source records carry the lilac aldehyde structure. | 2026-11-02 |
| A-Psicopyranose, TMS | C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC1(O[Si](C)(C)C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
Psicose is a ketohexose, so the aldopyranose drawing is wrong; the compound takes the psicopyranose TMS structure served under another id, stereo-free since no D or L is named. | 2026-11-02 |
| B-Sorbopyranose, TMS | C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC1(O[Si](C)(C)C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
Sorbopyranose is a 2-ketose and takes the ketopyranose connectivity Cheméo serves; beta-idopyranose names no D or L and keeps a stereo-free aldopyranose structure. | 2026-11-02 |
| Phenethylamine, p-methoxy-«alpha»-methyl-, hydrochloride | COc1ccc(CC(C)N)cc1 (C10H15NO.ClH) |
COc1ccc(CC(C)N)cc1.Cl, C10H16ClNO |
The hydrochloride of p-methoxyamphetamine (CAS 3706-26-1, C10H15NO.ClH) takes the salt structure and stays apart from the free base. | 2026-11-02 |
| (Z)-epi-«beta»-Santalol acetate | CC(=O)OCC(C)=CCCC1(C)C2CC3C(C2)C31C (C17H26O2) |
C=C1C2CCC(C2)C1(C)CCC=C(C)COC(C)=O, C17H26O2 |
Three beta-santalol acetates carry the tricyclic alpha-santalyl skeleton in their only records; Cheméo serves the bicyclic beta-santalyl acetate structure under another id, and they are corrected to it without stereo. | 2026-11-02 |
| «beta»-(Z)-Santalol acetate | CC(=O)OCC(C)=CCCC1(C)C2CC3C(C2)C31C (C17H26O2) |
C=C1C2CCC(C2)C1(C)CCC=C(C)COC(C)=O, C17H26O2 |
Three beta-santalol acetates carry the tricyclic alpha-santalyl skeleton in their only records; Cheméo serves the bicyclic beta-santalyl acetate structure under another id, and they are corrected to it without stereo. | 2026-11-02 |
| B-Psicopyranose, TMS | C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC1(O[Si](C)(C)C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
A psicopyranose is a ketohexose with the substituted carbon next to the ring oxygen, so the aldohexose-shaped structure is wrong. | 2026-11-02 |
| cis-1,3,5-trimethylcyclohexene | CC1CC(C)CC(C)C1 (C9H16) |
CC1=CC(C)CC(C)C1, C9H16 |
cis-1,3,5-Trimethylcyclohexene (CAS 24583-97-9, C9H16) was served as the saturated cyclohexane; it takes the 1,3,5-trimethylcyclohexene connectivity served under another id, without stereo since the name gives only the relative cis relation of a chiral pair. | 2026-11-02 |
| Borine, compound with ammonia(1:1) | CC.[BH2-][NH3+] (C2H11BN) |
no structure | Borane-ammonia (1:1) is H3B-NH3, but the served structure adds an ethane, and no source holds the right structure, so it is served without one and with formula BH6N. | 2026-11-02 |
| Potassium tetraborate | O.[K+].[K+].[O-]B1OB2OB([O-])OB(O1)O2 (B4K2O7) |
[K+].[K+].[O-]B1OB2OB([O-])OB(O1)O2, B4K2O7 |
Potassium tetraborate, as its seven literature records, stored InChI and stored formula give it, is anhydrous K2B4O7, while the served SMILES, InChIKey and molar mass 251.45 come from a WebBook entry for a monohydrate that holds only an IR spectrum. | 2026-11-02 |
| A-Tagatopyranose, TMS | C[Si](C)(C)OC[C@@]1(O[Si](C)(C)C)CC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C22H54O5Si5) |
C[Si](C)(C)OCC1(O[Si](C)(C)C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
Alpha-tagatopyranose TMS was drawn as a carbocycle without the ring oxygen; it takes the stereo-free tagatopyranose pentakis-TMS structure served in Cheméo, as its name gives no D or L. | 2026-11-02 |
| phytadiene 2 | C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C (C20H38) |
no structure | Phytadiene 1, 2 and 3 are numbered unspecified isomers of C20H38, not one defined structure, and must not be merged. | 2026-11-02 |
| phytadiene 1 | C=CC(C)=CCCC(C)CCCC(C)CCCC(C)C (C20H38) |
no structure | Phytadiene 1, 2 and 3 are numbered unspecified isomers of C20H38, not one defined structure, and must not be merged. | 2026-11-02 |
| phytadiene 3 | C=C/C(C)=C/CCC(C)CCCC(C)CCCC(C)C (C20H38) |
no structure | Phytadiene 1, 2 and 3 are numbered unspecified isomers of C20H38, not one defined structure, and must not be merged. | 2026-11-02 |
| Myrcene dimer | C=C(CCC=C(C)C)C1CC=C(CCC=C(C)C)CC1 (C20H32) |
no structure | Myrcene dimer is a generic name for several dimers and is served without a single structure, keeping its formula. | 2026-11-02 |
| (E)-Isovalencenol | C=CC(=C)CCC1C(C)(O)CCC2C(C)(C)CCCC21C (C20H34O) |
no structure | Isoabienol keeps its stereo-free labdane structure, while (E)-isovalencenol, a sesquiterpene alcohol by its retention indices, is served without the diterpene structure it was drawn with. | 2026-11-02 |
| Binaphthalene | c1ccc2c(-c3cccc4ccccc34)cccc2c1 (C20H14) |
no structure | The generic name Binaphthalene without locants has no single structure. | 2026-11-02 |
| Disodium dichloride | [Na]1<-[Cl][Na]<-[Cl]1 (Cl2Na2) |
[Cl].[Cl].[Na].[Na], Cl2Na2 |
The sodium chloride dimer Na2Cl2 (CAS 12258-98-9) is served with a dative-bond ring SMILES from which no InChI can be computed, so its structure is taken from its WebBook InChI 2Cl.2Na, which keeps the served InChIKey. | 2026-11-02 |
| 1-Buten-3-yl radical | C=C[CH]C (C4H7) |
no structure | The title, the CAS and the current source InChI name 1-methylcyclopropyl, whose structure the data does not hold. | 2026-11-02 |
| Calcium acetate, monohydrate | CC(=O)[O][Ca][O]C(C)=O.O (C4H8CaO5) |
no structure | The kept id takes the right structure, served until now as 77-690-1. | 2026-11-02 |
| Ammonium tetrathiocyanatomercurate (ii) | N#C/S(N)=[S](\C#N)[Hg]/[S](C#N)=S(\N)C#N (C4H4HgN6S4) |
no structure | Ammonium tetrathiocyanatomercurate(II) is the salt (NH4)2[Hg(SCN)4], and neither source drawing is that structure, so it is served without a structure, with its formula C4H8HgN6S4. | 2026-11-02 |
| Sym-diethyldiborane | CCBBCC (C4H12B2) |
no structure | sym-Diethyldiborane is a hydrogen-bridged diborane C4H14B2, which the served B-B drawing C4H12B2 does not represent, so it is served without a structure and with its formula. | 2026-11-02 |
| Iron blue | N#[C][Fe]([NH2])([C]#N)[Fe]([C]#N)([C]#N)([C]#N)[C]#N (C6H4Fe2N7) |
[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[C]#N.[Fe-].[Fe].[NH4+], C6H4Fe2N7 |
Iron blue, the ammonium iron hexacyanoferrate C6H4Fe2N7 of its WebBook entry, was served with an amido SMILES lacking two hydrogens (C6H2Fe2N7); the corrected SMILES reproduces the stored InChI, formula and mass exactly. | 2026-11-02 |
| Lead oxalate | O=C([O-])C(=O)[O-].[PbH6+2] (C2O4Pb) |
O=C([O-])C(=O)[O-].[Pb+2], C2O4Pb |
Lead oxalate is the lead(2+) salt of oxalate, and the served lead hydride ion is an artefact. | 2026-11-02 |
| Ammonium oxalate | NOC(=O)C(=O)ON.O.O (C2H12N2O6) |
O.O.O=C([O-])C(=O)[O-].[NH4+].[NH4+], C2H12N2O6 |
The WebBook entry named ammonium oxalate holds the dihydrate composition C2H12N2O6 in its InChI, formula and mass, while the served SMILES is a covalent bis(aminooxy) oxalate (C2H8N2O6); the salt SMILES gives the stored InChI exactly. | 2026-11-02 |
| Borane, compd. with dimethylamine (1:1) | [BH2-][NH+](C)C (C2H9BN) |
[BH3-][NH+](C)C, C2H10BN |
Dimethylamine borane was served with a BH2 group (C2H9BN) while its stored InChI holds the BH3 adduct C2H10BN. | 2026-11-02 |
| Malonic acid dithallous salt | O=C(CC(=O)[O][TlH2])[O][TlH2] (C3H2O4Tl2) |
O=C(CC(=O)[O][Tl])[O][Tl], C3H2O4Tl2 |
The served structure carries two extra hydrogens on each thallium that no source has; the record structure is the dithallium malonate. | 2026-11-02 |
| cis,trans,trans-1,2,4-Trimethylcyclohexane | CC1CC(C)C(C)C1 (C8H16) |
CC1CCC(C)C(C)C1, C9H18 |
The kept id takes the right structure, served until now as 73-374-6. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-one,exo- | C1CC2CC1[C@H]1C[C@@H]21 (C8H12) |
no structure | Both compounds are stereoisomers of the ketone tricyclo[3.2.1.0(2,4)]octan-8-one (C8H10O) but were served as the C8H12 hydrocarbon, and no ketone structure exists in the data, so both are served with no structure and the formula C8H10O, kept apart under their two CAS numbers. | 2026-11-02 |
| Copper, bis(8-quinolinolato-N1,O8)- | c1cc2[O][Cu]3([O]c4cccc5ccc[n]->3c45)<-[n]3cccc(c1)c23 (C18H12CuN2O2) |
[Cu+2].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12, C18H12CuN2O2 |
Copper 8-quinolinolate (CAS 10380-28-6) is served with a dative-bond chelate SMILES from which no InChI can be computed, while its WebBook InChI gives copper(II) with two 8-quinolinolate anions and the served InChIKey. | 2026-11-02 |
| Allyl ionone 3 | C=CCCC(=O)C=CC1C(C)=CCCC1(C)C (C16H24O) |
no structure | The numbered allyl ionones are unspecified isomers of C16H24O, so they have no single structure. | 2026-11-02 |
| tert-Butyldecalin | CC(C)(C)C1CCCC2CCCCC21 (C14H26) |
no structure | The unspecified tert-butyldecalin (generic CAS 27193-30-2) is not tied to one position, so it has no single structure. | 2026-11-02 |
| Sulfur trifluoride | F[SH](F)F (F3S) |
F[S](F)F, F3S |
Sulfur trifluoride, CAS 30937-38-3, is the SF3 species of formula F3S: the served SMILES carries an extra hydrogen that the formula, mass and every source lack. | 2026-11-02 |
| Lithium sulfate | O.[Li][O]S(=O)(=O)[O][Li] (Li2O4S) |
O=S(=O)([O-])[O-].[Li+].[Li+], Li2O4S |
The compound is anhydrous lithium sulfate, as its literature records give, so it is served as Li2SO4; the two monohydrate records leave it and are not served. | 2026-11-02 |
| «beta»-(Z)-Santalol | CC(=CCCC1(C)C2CC3C(C2)C31C)CO (C15H24O) |
C=C1C2CCC(C2)C1(C)CC/C=C(/C)CO, C15H24O |
beta-(Z)-Santalol was served with the alpha-santalol skeleton, and the alpha compound lost its Z mark. | 2026-11-02 |
| Chromium, tris(1,1,1-trifluoro-2,4-pentanedionato-O,O')- | CC1=CC(=[O]->[Cr]23([O]1)([O]C(=CC(C)=[O]->2)C(F)(F)F)[O]C(=CC(C)=[O]->3)C(F)(F)F)C(F)(F)F (C15H12CrF9O6) |
C/C([O-])=C/C(=O)C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.CC(=O)/C=C(\[O-])C(F)(F)F.[Cr+3], C15H12CrF9O6 |
Chromium(III) trifluoroacetylacetonate (CAS 14592-89-3) is served with a dative-bond chelate SMILES from which no InChI can be computed, while its WebBook InChI gives chromium(III) with three enolates and the served InChIKey. | 2026-11-02 |
| Butane-2,3-diol, mono-hexanoate, #1 | CCCCCC(=O)OC(C)(C)C(C)(C)O (C12H24O3) |
no structure | The served structure is the monohexanoate of pinacol, 2,3-dimethylbutane-2,3-diol, not of butane-2,3-diol, and no source gives the right one. | 2026-11-02 |
| Butane-2,3-diol, mono-hexanoate, #2 | CCCCCC(=O)OC(C)(C)C(C)(C)O (C12H24O3) |
no structure | The served structure is the monohexanoate of pinacol, 2,3-dimethylbutane-2,3-diol, not of butane-2,3-diol, and no source gives the right one. | 2026-11-02 |
| Phenol, 2,6-diallyl- | C=CCc1cccc(CC=C)c1[O] (C12H13O) |
C=CCc1cccc(CC=C)c1O, C12H14O |
The served structure of 2,6-diallylphenol is a radical with a lost hydrogen on oxygen, while the compound is the closed-shell phenol C12H14O. | 2026-11-02 |
| 1-Pentanol, 3-methyl-2-phenyl- | CCC(C)C(C[O])c1ccccc1 (C12H17O) |
CCC(C)C(CO)c1ccccc1, C12H18O |
The served SMILES has a radical oxygen; the record InChI gives the closed alcohol 3-methyl-2-phenylpentan-1-ol. | 2026-11-02 |
| Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«beta»,4«alpha»)- (exo,exo) | CC1C2CCC(CC2)C1C#N (C10H13N) |
no structure | The exo,exo stereoisomer of 3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile was served as the saturated octane, a structure that is certainly wrong; it is served without structure, with its formula C10H13N, apart from its three stereoisomers. | 2026-11-02 |
| (Z)-«beta»-Terpinolene | CC1=CCC(=C(C)C)CC1 (C10H16) |
no structure | (Z)-beta-Terpinolene is a different isomer from alpha-terpinolene in the same source, yet it was drawn as terpinolene, which has no Z or E double bond, so it keeps its formula C10H16 without a structure. | 2026-11-02 |
| «tau»-Elemene | C=CC1(C)CCC(C(=C)C)CC1C(=C)C (C15H24) |
no structure | tau-Elemene has no settled structure: its sources point to different elemenes. | 2026-11-02 |
| (E)- «beta»-Bisabolene | C=C(CCC=C(C)C)C1CC=C(C)CC1 (C15H24) |
no structure | Bisabolene without a prefix is a mix of isomers, and (E)-beta-bisabolene cannot be the beta isomer drawn since beta-bisabolene has no E or Z double bond, so both are served without structure and with the formula C15H24. | 2026-11-02 |
| myo-Inositol phosphate, 7TMS | C[Si](C)(C)O[C@@H]1[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C (C27H69O9PSi7) |
no structure | myo-Inositol phosphate without a position is a generic name and is served with its formula only, while myo-inositol 1-phosphate keeps its drawn myo structure. | 2026-11-02 |
| (-)-«alpha»-thujene | CC1C=CC2(C(C)C)CC12 (C10H16) |
CC1=CCC2(C(C)C)CC12, C10H16 |
(-)-alpha-Thujene is 2-methyl-5-isopropylbicyclo[3.1.0]hex-2-ene, not the beta-thujene it was drawn as, so it takes the alpha-thujene connectivity already served, without stereo since an optical sign gives no centre configuration. | 2026-11-02 |
| Piperazine, 1-(2-hydroxyethyl) | OCCN1CCNCC1 (C6H14N2O) |
no structure | CAS 25154-38-5 is piperazineethanol as a mixture of positional isomers, not the 1-(2-hydroxyethyl) isomer served. | 2026-11-02 |
| (R,E)-6-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one | COc1ccccc1OC(=O)Oc1ccccc1OC (C15H14O5) |
no structure | Methysticin (CAS 495-85-2) was served as bis(2-methoxyphenyl) carbonate, an isomer of the same formula, and no methysticin structure exists in the data, so it is served with no structure and its formula C15H14O5. | 2026-11-02 |
| Butane-2,3-diol mono-butanoate, #1 | CCCC(=O)OC(C)(C)C(C)(C)O (C10H20O3) |
no structure | The butane-2,3-diol monobutanoate peaks were served as the tetramethyl pinacol ester, a different compound, and no right structure exists in the data, so they are served without a structure. | 2026-11-02 |
| A-Sorbopyranose, TMS | C[Si](C)(C)OCC1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C (C21H52O6Si5) |
C[Si](C)(C)OCC1(O[Si](C)(C)C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C, C21H52O6Si5 |
alpha-Sorbopyranose is a ketohexopyranose, not the aldohexopyranose it was served as, so it takes the sorbopyranose connectivity without stereo; alpha-idopyranose keeps its stereo-free structure. | 2026-11-02 |
| 5-Phenylpentylammonium bromide | Cl.NCCCCCc1ccccc1 (C11H18BrN) |
no structure | The name, formula and mass give the bromide while the structure and the CAS give the chloride; the bromide is held by no record or other id, and the sources do not settle which salt was measured, so it is served without a structure. | 2026-11-02 |
| Lingustilide | CCC/C=C1/OC(=O)c2ccccc21 (C12H12O2) |
CCCC=C1OC(=O)C2=C1CCC=C2, C12H14O2 |
Ligustilide is the dihydrophthalide C12H14O2, not butylidenephthalide. | 2026-11-02 |
| (Z)-Bergamotol acetate | CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(/C)CO (C15H24O) |
CC(=O)OC/C(C)=C\CCC1(C)C2CC=C(C)C1C2, C17H26O2 |
(Z)-Bergamotol acetate is the acetate its name and retention index give, not the alcohol it was served as; it is served as the (Z) alpha-bergamotyl acetate with the ring configuration unspecified. | 2026-11-02 |
| Beryllium, bis(1-phenyl-1,3-butanedionato-O,O')-, (T-4)- | CC(=O)C=C([O-])c1ccccc1.CC([O-])=CC(=O)c1ccccc1.[Be] (C20H18BeO4-2) |
CC(=O)C=C([O-])c1ccccc1.CC([O-])=CC(=O)c1ccccc1.[Be+2], C20H18BeO4 |
The served beryllium salt has an uncharged beryllium atom, giving a false charge of -2; the real complex is neutral. | 2026-11-02 |
| Bis(1-(2-naphthyl)-4,4,4-trifluoro-1,3-butanedionato)copper | FC(F)(F)C1=CC(=[O]->[Cu]2([O]1)[O]C(=CC(=[O]->2)c1ccc2ccccc2c1)C(F)(F)F)c1ccc2ccccc2c1 (C28H16CuF6O4) |
O=C(/C=C(\[O-])C(F)(F)F)c1ccc2ccccc2c1.O=C(/C=C(\[O-])C(F)(F)F)c1ccc2ccccc2c1.[Cu+2], C28H16CuF6O4 |
Bis(1-(2-naphthyl)-4,4,4-trifluoro-1,3-butanedionato)copper (CAS 30983-56-3) is served with a dative-bond chelate SMILES from which no InChI can be computed, while its WebBook InChI gives copper(II) with two enolates and the served InChIKey. | 2026-11-02 |
| 1-Allyl-3-methylbenzene | CC1CC=C(Br)CC1 (C7H11Br) |
C=CCc1cccc(C)c1, C10H12 |
The kept id takes the right structure, served until now as 79-570-2. | 2026-11-02 |
| Trimethylamine-triborane (7) | C[N+](C)(C)[B-]1BB1 (C3H11B3N) |
no structure | Trimethylamine-triborane(7) is the B3H7 adduct C3H16B3N, which the served three-boron ring C3H11B3N does not represent, so it is served without a structure and with its formula. | 2026-11-02 |
| thallium formate | O=C[O-].[TlH2+] (CHO2Tl) |
O=C[O-].[Tl+], CHO2Tl |
Thallium formate is the ionic salt O=C[O-].[Tl+]; the served drawings carry spurious hydrogens or a covalent bond. | 2026-11-02 |
| Benzo[4,5]phenyleno[1,9]thiophene | c1ccc2c(c1)cc1ccc3csc4ccc2c1c34 (C18H10S) |
no structure | Its name is not a valid ring name and its retention index differs from the phenaleno compound, so no structure is served. | 2026-11-02 |
| Phenanthro[3,4-a]dibenzothiophene | c1ccc2c(c1)ccc1ccc3sccc3c12 (C16H10S) |
no structure | Phenanthro[3,4-a]dibenzothiophene is a six-ring sulfur aromatic, not phenanthro[3,4-b]thiophene, and its structure is not in the data; it is served without a structure. | 2026-11-02 |
| Allyl ionone 2 | C=CCCC(=O)C=CC1C(C)=CCCC1(C)C (C16H24O) |
no structure | The numbered allyl ionones are unspecified isomers of C16H24O, so they have no single structure. | 2026-11-02 |
| Allyl ionone 1 | C=CCCC(=O)C=CC1C(C)=CCCC1(C)C (C16H24O) |
no structure | The numbered allyl ionones are unspecified isomers of C16H24O, so they have no single structure. | 2026-11-02 |
| Allyl ionone 4 | C=CCCC(=O)C=CC1C(C)=CCCC1(C)C (C16H24O) |
no structure | The numbered allyl ionones are unspecified isomers of C16H24O, so they have no single structure. | 2026-11-02 |
| Bis(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato)iron | FC(F)(F)C1=CC(=[O]->[Fe]2([O]1)[O]C(=CC(=[O]->2)C(F)(F)F)C(F)(F)F)C(F)(F)F (C10H2F12FeO4) |
O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Fe+2], C10H2F12FeO4 |
Bis(hexafluoroacetylacetonato)iron(II) (CAS 28736-68-7) is served with a dative-bond chelate SMILES from which no InChI can be computed, while its WebBook InChI gives iron(II) with two enolates and the served InChIKey. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-one,(1«alpha»,2«alpha»,4«alpha»,5«alpha»)- | C1CC2CC1C1CC21 (C8H10O) |
no structure | Both compounds are stereoisomers of the ketone tricyclo[3.2.1.0(2,4)]octan-8-one (C8H10O) but were served as the C8H12 hydrocarbon, and no ketone structure exists in the data, so both are served with no structure and the formula C8H10O, kept apart under their two CAS numbers. | 2026-11-02 |
| Imcensole acetate | CC(=O)OC1CCC=CCCC(C)=CCC2(C(C)C)CCC1(C)O2 (C21H34O3) |
no structure | Incensole acetate has 22 carbons while the served structure, shared with isoincensole acetate, has 21, and no source gives the right one. | 2026-11-02 |
| 1,4-Butanediol, 2-hexyl- | CCCCCCC(C[O])CC[O] (C10H20O2) |
CCCCCCC(CO)CCO, C10H22O2 |
The served structure is a diradical, while the name 2-hexyl-1,4-butanediol is the diol C10H22O2. | 2026-11-02 |
| Valerianol (Khusunol) | C=C1C2CCC(CO)C23CCC(C3)C1(C)C (C15H24O) |
CC1CCC=C2CCC(C(C)(C)O)CC21C, C15H26O |
Valerianol, also called kusunol, is a C15H26O eudesmane alcohol, not khusimol; it takes the structure Cheméo serves for valerianol. | 2026-11-02 |
| 3,3-Diphenyl-1-propanol | OCCC(c1ccccc1)c1ccccc1 (C15H16O) |
no structure | The name and drawing (3,3-diphenyl) and the CAS (2,3-diphenyl) disagree, so no structure is served. | 2026-11-02 |
| Butane-2,3-diol, mono-butanoate, #2 | CCCC(=O)OC(C)(C)C(C)(C)O (C10H20O3) |
no structure | The butane-2,3-diol monobutanoate peaks were served as the tetramethyl pinacol ester, a different compound, and no right structure exists in the data, so they are served without a structure. | 2026-11-02 |
| Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«beta»,3«alpha»,4«alpha»)- (exo,endo) | CC1C2CCC(CC2)C1C#N (C10H13N) |
no structure | The exo,endo stereoisomer of 3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile was served as the saturated octane, a structure that is certainly wrong; it is served without structure, with its formula C10H13N, apart from its three stereoisomers. | 2026-11-02 |
| Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«alpha»,4«alpha»)- (endo,endo) | CC1C2CCC(CC2)C1C#N (C10H13N) |
no structure | The endo,endo stereoisomer of 3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile was served as the saturated octane, a structure that is certainly wrong; it is served without structure, with its formula C10H13N, apart from its three stereoisomers. | 2026-11-02 |
| Bicyclo[2.2.2]oct-5-ene-2-carbonitrile, 3-methyl-, (1«alpha»,2«alpha»,3«beta»,4«alpha»)- (endo,exo) | CC1C2CCC(CC2)C1C#N (C10H13N) |
no structure | The endo,exo stereoisomer of 3-methylbicyclo[2.2.2]oct-5-ene-2-carbonitrile was served as the saturated octane, a structure that is certainly wrong; it is served without structure, with its formula C10H13N, apart from its three stereoisomers. | 2026-11-02 |
| ethyl-benzothiophene | CCc1cc2ccccc2s1 (C10H10S) |
no structure | The name and CAS 54385-63-6 are for ethylbenzothiophene with the position unspecified, so no single isomer applies. | 2026-11-02 |
| Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 1 | CC=CC=CC(=O)OCC (C8H12O2) |
no structure | The two isomers of ethyl 2,4-dimethyl-2,4-hexadienoate were drawn without their two methyl groups, as ethyl sorbate isomers, and the right structure is in no source, so they keep their data without a structure. | 2026-11-02 |
| Ethyl 2,4-dimethyl-2,4-hexadienoate, not E,E, # 2 | CC=CC=CC(=O)OCC (C8H12O2) |
no structure | The two isomers of ethyl 2,4-dimethyl-2,4-hexadienoate were drawn without their two methyl groups, as ethyl sorbate isomers, and the right structure is in no source, so they keep their data without a structure. | 2026-11-02 |
| (E)-2,3-Didehydro-«alpha»-ionol | CC1=C(C=CC(C)O)C(C)(C)CC=C1 (C13H20O) |
CC1=CC=CC(C)(C)C1/C=C/C(C)O, C13H20O |
2,3-Didehydro-alpha-ionol carries the 2,6,6-trimethylcyclohexa-2,4-dienyl ring, not the 1,3-dienyl ring of 3,4-didehydro-beta-ionol it was served with. | 2026-11-02 |
| Iron octaethylporphyrin chloride | CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Cl.[Fe] (C36H44ClFeN4) |
CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[Cl-].[Fe+3], C36H44ClFeN4 |
Iron octaethylporphyrin chloride is served with neutral iron and hydrogen chloride on a porphyrin dianion (C36H45ClFeN4, net charge -2), while its WebBook InChI gives the iron(III) chloride complex C36H44ClFeN4 that matches the stored formula and mass. | 2026-11-02 |
| Lead phosphate, tribasic | O.O=P1([O][PbH2][O]P2(=O)[O][PbH2][O]2)[O][PbH2][O]1 (H2O9P2Pb3) |
O.O=P1([O][Pb][O]P2(=O)[O][Pb][O]2)[O][Pb][O]1, H2O9P2Pb3 |
The served SMILES gives each lead atom two hydrogens that no source has, which changes the formula and key; the record structure matches the stored formula. | 2026-11-02 |
| Potassium tungstate | O.O.O.O.[K].[K].[W] (K2O4W) |
[O]=[W](=[O])([O][K])[O][K], K2O4W |
Potassium tungstate K2WO4 is served with a SMILES of four water molecules and bare metals (H8K2O4W), while its WebBook structure file gives the hydrogen-free K2O4W that matches the stored InChI, formula and mass. | 2026-11-02 |
| Ethyl linoelaidate | CCCCCCCC/C=C\C/C=C\CCCCC(=O)OCC (C20H36O2) |
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC, C20H36O2 |
Ethyl linoelaidate is the 9E,12E-octadecadienoate, while the served structure is a 6,9-Z,Z isomer. | 2026-11-02 |
| Methyl isoselenocyanate | CN=C=[SeH] (C2H3NSe) |
CN=C=[Se], C2H3NSe |
The served SMILES has an extra hydrogen on selenium; methyl isoselenocyanate is CH3-N=C=Se. | 2026-11-02 |
| isopropylammonium nitrate | CC(C)NO[N+](=O)[O-] (C3H10N2O3) |
no structure | Isopropylammonium nitrate was served as a covalent N-nitrooxy amine, a structure that is certainly wrong; it is served without structure, with its formula C3H10N2O3. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-ol,acetate,exo-syn- | OC1[C@@H]2CC[C@@H]1[C@H]1C[C@@H]12 (C8H12O) |
no structure | The exo-syn acetate of tricyclo[3.2.1.0(2,4)]octan-8-ol was served as the free alcohol, a structure that is certainly wrong; it is served without structure, with its formula C10H14O2, apart from the other acetates and the alcohols. | 2026-11-02 |
| Vanadium, oxotris(trimethylsilanolato)-, (T-4)- | C[Si](C)(C)[O-].C[Si](C)(C)[O-].C[Si](C)(C)[O-].O.[V] (C9H27O4Si3V) |
C[Si](C)(C)[O][V](=[O])([O][Si](C)(C)C)[O][Si](C)(C)C, C9H27O4Si3V |
Oxotris(trimethylsilanolato)vanadium is served with a water molecule and neutral vanadium (C9H29O4Si3V, net charge -3), while its WebBook structure file gives the VO(OSiMe3)3 ester that matches the stored InChI, formula and mass. | 2026-11-02 |
| Docosahexaenoic acid, methyl ester | C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC (C23H34O2) |
no structure | The name gives no double bond positions, so the compound is a generic docosahexaenoic acid methyl ester, and the single drawn isomer (5,8,11,14,17,20 with all E) is not a proper structure for it. | 2026-11-02 |
| «tau»-Stearolactone | CCCCCCCCCCCCCC1CCCC(=O)O1 (C18H34O2) |
no structure | Tau gives no valid lactone position for an eighteen-carbon acid, so the stearolactone is served without a structure, keeping its formula. | 2026-11-02 |
| Sodium tungstate | O.O.O.O.O.[Na].[Na].[W] (H2Na2O5W) |
O.[O]=[W](=[O])([O][Na])[O][Na], H2Na2O5W |
The WebBook entry named sodium tungstate is the monohydrate H2Na2O5W by its formula, InChI and structure file, but is served with five water molecules and bare metals (H10Na2O5W), so it takes the structure file that matches the stored InChI and mass. | 2026-11-02 |
| E-(3-Chloro-2-methyl-allyl)-dimethyl- amine | C/C(=C\Cl)N(C)C (C5H10ClN) |
C/C(=C\Cl)CN(C)C, C6H12ClN |
The served structure lacks the CH2 of the allyl group named, so it is rebuilt as the E isomer of the allyl amine. | 2026-11-02 |
| Tris(isobutoxo)oxovanadium | CC(C)C[O-].CC(C)C[O-].CC(C)C[O-].O.[V] (C12H27O4V) |
CC(C)C[O][V](=[O])([O]CC(C)C)[O]CC(C)C, C12H27O4V |
Triisobutyl vanadate is served with a water molecule and neutral vanadium (C12H29O4V, net charge -3), while its WebBook structure file gives the VO(O-iBu)3 ester that matches the stored InChI, formula and mass. | 2026-11-02 |
| Menth-1-en-9-yl tiglate, p- | C/C=C(\C)C(=O)OC(C)(C)C1CC=C(C)CC1 (C15H24O2) |
no structure | The name (p-menth-1-en-9-yl) and the drawing (alpha-terpinyl) disagree, so no structure is served. | 2026-11-02 |
| Glycerol monoacetate | CC(=O)OCC(O)CO (C5H10O4) |
no structure | The name Glycerol monoacetate with CAS 26446-35-5 is the mixture of mono-esters, not the 1-isomer. | 2026-11-02 |
| Diisooctyl adipate | CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C (C22H42O4) |
no structure | Diisooctyl adipate (CAS 1330-86-5) is a mixture of isooctyl isomers, while CAS 105-96-4 is the defined bis(6-methylheptyl) ester. | 2026-11-02 |
| 8-geranyloxypsoralen | CC(C)=CCCC(C)=CCOc1c2ccoc2cc2oc(=O)ccc12 (C21H22O4) |
no structure | The 4-geranyloxy furochromenone is bergamottin and takes the 2E geranyl its name gives; 8-geranyloxypsoralen is drawn as bergamottin, the 5-substituted isomer, and its own structure is in no record or other id, so it is served without a structure, with its formula C21H22O4. | 2026-11-02 |
| Spiro[5.5]undecane-3-carboxylic acid | [O]C(=O)C1CCC2(CCCCC2)CC1 (C12H19O2) |
O=C(O)C1CCC2(CCCCC2)CC1, C12H20O2 |
The acid is the closed-shell spiro[5.5]undecane-3-carboxylic acid, the radical oxygen being a drawing defect. | 2026-11-02 |
| neo-Isopulegyl acetate | CC(=O)OC1CC(C)CCC1=C(C)C (C12H20O2) |
C=C(C)C1CCC(C)CC1OC(C)=O, C12H20O2 |
The name isopulegyl implies an isopropenyl group, but the served structure has isopropylidene (the pulegyl skeleton). | 2026-11-02 |
| ethyl methylphenyl glycidate 2 | CCOC(=O)C1OC1Cc1ccccc1 (C12H14O3) |
CCOC(=O)C1OC1(C)c1ccccc1, C12H14O3 |
Ethyl methylphenylglycidate is ethyl 3-methyl-3-phenyloxirane-2-carboxylate, which Cheméo already serves, so its two chromatographic isomers take that structure without stereo and stay distinct, since no source says which is cis or trans. | 2026-11-02 |
| ethyl methylphenyl glycidate 1 | CCOC(=O)C1OC1Cc1ccccc1 (C12H14O3) |
CCOC(=O)C1OC1(C)c1ccccc1, C12H14O3 |
Ethyl methylphenylglycidate is ethyl 3-methyl-3-phenyloxirane-2-carboxylate, which Cheméo already serves, so its two chromatographic isomers take that structure without stereo and stay distinct, since no source says which is cis or trans. | 2026-11-02 |
| [2H6]Isopentenyladenine, permethylated | CC(C)=CCN(C)c1ncnc2c1ncn2C (C12H17N5) |
no structure | The hexadeuterated compound was served with the unlabelled structure, and no source gives the label positions, so it keeps its data without a structure while the unlabelled compound keeps its own. | 2026-11-02 |
| Isopentyl 3-hydroxy-2-methylenebutanoate | C=C(C(=O)OCCC(C)C)C(C)O (C10H18O3) |
no structure | Its CAS and synonym point to the 2-methylbutyl ester, whose structure the data does not hold. | 2026-11-02 |
| 4,5-epoxy-2-decenal (isomer A) | CCCCCC1OC1CCC=O (C10H18O2) |
CCCCCC1OC1C=CC=O, C10H16O2 |
Both are 4,5-epoxy-2-decenal, which Cheméo serves, but drawn without the 2,3 double bond; each takes the stereo-free epoxydecenal structure, and the two isomers stay apart since the source does not give their configuration. | 2026-11-02 |
| 4,5-epoxy-2-decenal (isomer B) | CCCCCC1OC1CCC=O (C10H18O2) |
CCCCCC1OC1C=CC=O, C10H16O2 |
Both are 4,5-epoxy-2-decenal, which Cheméo serves, but drawn without the 2,3 double bond; each takes the stereo-free epoxydecenal structure, and the two isomers stay apart since the source does not give their configuration. | 2026-11-02 |
| cis-4-hydroxylinalool 3,6 oxide | C=C[C@]1(C)OC(=C(C)C)C[C@@H]1O (C10H16O2) |
no structure | The name denotes the hydroxylated furanoid linalool oxide, which the drawing lacks, so no structure is served. | 2026-11-02 |
| trans-4-hydroxylinalool 3,6 oxide | C=C[C@]1(C)OC(=C(C)C)C[C@H]1O (C10H16O2) |
no structure | The name denotes the hydroxylated furanoid linalool oxide, which the drawing lacks, so no structure is served. | 2026-11-02 |
| Vanadium, oxo[2,7,12,17-tetraethyl-3,8,13,18-tetramethyl-21H,23H-porphinato(2-)-N21,N22,N23,N24]-, (SP-5-12)- | CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.O.[V] (C32H36N4OV) |
CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.[O].[V+2], C32H36N4OV |
Vanadyl etioporphyrin I is served with a water molecule and neutral vanadium on a porphyrin dianion (C32H38N4OV, net charge -2), while its WebBook InChI gives the oxovanadium(IV) complex C32H36N4OV that matches the stored formula and mass. | 2026-11-02 |
| Pd-TETMP complex | CCC1=C(C)C2=[N]3->[Pd]45<-[N]6=C(C=c7c(C)c(CC)c([n]74)=C2)C(CC)=C(C)C6=Cc2c(CC)c(C)c([n]25)C=C13 (C32H36N4Pd) |
CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.[Pd+2], C32H36N4Pd |
The palladium tetraethyltetramethylporphyrin complex is served with a dative-bond SMILES from which no InChI can be computed; its WebBook InChI gives the same complex as a porphyrin dianion and palladium(II), C32H36N4Pd. | 2026-11-02 |
| Arsenious oxide (As4O6) | O=[AsH]O[As](O[AsH]=O)O[AsH]=O (As4O6) |
O=[As]O[As](O[As]=O)O[As]=O, As4O6 |
The record structure has no added hydrogens on arsenic, matching the formula As4O6. | 2026-11-02 |
| Butyric acid, 2-(p-methoxyphenyl)- | COc1ccc(CCCC([O])=O)cc1 (C11H14O3) |
no structure | 2-(p-Methoxyphenyl)butyric acid is drawn as the 4-aryl isomer with a radical oxygen; the 2-aryl acid is in no record or other id, so it is served without a structure, with its formula C11H14O3. | 2026-11-02 |
| Bone black | O=P1([O][Ca][O]P2(=O)[O][Ca][O]2)[O][Ca][O]1 (Ca3O8P2) |
no structure | Bone black is bone char, a mixture of calcium phosphate and carbon, not a single calcium phosphate structure. | 2026-11-02 |
| E-1-Chloro-3-methoxy-2-methyl-propene | CO/C(C)=C/Cl (C4H7ClO) |
COC/C(C)=C/Cl, C5H9ClO |
The compound takes the 1-chloro-3-methoxy-2-methylpropene structure served for its Z isomer, with the E configuration its name gives. | 2026-11-02 |
| Pyridine borane | [BH2-][n+]1ccccc1 (C5H8BN) |
[BH3-][n+]1ccccc1, C5H8BN |
The same substance, pyridine borane: both records give the C5H8BN structure, and the served SMILES of both ids lost one boron hydrogen. | 2026-11-02 |
| 1,2,4-Benzenetricarboxylic acid, trioctyl ester (iso) | CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(C(=O)OCCCCCCCC)c1 (C33H54O6) |
no structure | The iso-octyl trimellitate is an isomer mixture with no single structure. | 2026-11-02 |
| NERYL PHENYLACETATE | CC(C)=CCC/C(C)=C\CCC(=O)Oc1ccccc1 (C18H24O2) |
CC(C)=CCC/C(C)=C\COC(=O)Cc1ccccc1, C18H24O2 |
The name is neryl phenylacetate, the Z isomer of the geranyl ester, while the served structure is an unrelated phenyl dimethyldecadienoate. | 2026-11-02 |
| Rhodium 1,5-cyclooctadiene chloride dimer | C1=CCCC=CCC1.C1=CCCC=CCC1.Cl.Cl.[Rh].[Rh] (C16H24Cl2Rh2) |
C1=CCCC=CCC1.C1=CCCC=CCC1.[Cl].[Cl].[Rh].[Rh], C16H24Cl2Rh2 |
The chloro(1,5-cyclooctadiene)rhodium dimer is served with a SMILES that adds a hydrogen to each chlorine (C16H26Cl2Rh2); the SMILES from its WebBook InChI gives the stored InChI and formula C16H24Cl2Rh2. | 2026-11-02 |
| 14-Hydroxy-«alpha»-humulene, coumarate | CC(=O)OCC1=CCCC(C)=CCC(C)(C)C=CC1 (C17H26O2) |
no structure | The coumarate ester of 14-hydroxy-alpha-humulene was served with the acetate structure, and Cheméo's data holds no coumarate structure, so it is served without one. | 2026-11-02 |
| 3-oxo-R-damascone 1 | C/C=C/C(=O)C1=C(C)CC(=O)CC1(C)C (C13H18O2) |
CC=CC(=O)C1C(C)=CC(=O)CC1(C)C, C13H18O2 |
3-Oxo-alpha-damascone isomer 1 has the alpha-damascone ring of 3-oxo-alpha-damascone, not the beta-type ring it was drawn with; which isomer it is stays unspecified. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-ol,acetate,endo-syn- | OC1[C@@H]2CC[C@@H]1[C@H]1C[C@H]12 (C8H12O) |
no structure | The endo-syn acetate of tricyclo[3.2.1.0(2,4)]octan-8-ol was served as the free alcohol, a structure that is certainly wrong; it is served without structure, with its formula C10H14O2, apart from the other acetates and the alcohols. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-ol,acetate,endo-anti- | OC1[C@@H]2CC[C@@H]1[C@H]1C[C@H]12 (C8H12O) |
no structure | The endo-anti acetate of tricyclo[3.2.1.0(2,4)]octan-8-ol was served as the free alcohol, a structure that is certainly wrong; it is served without structure, with its formula C10H14O2, apart from the other acetates and the alcohols. | 2026-11-02 |
| Tricyclo[3.2.1.02,4]octan-8-ol,acetate,exo-anti- | OC1[C@@H]2CC[C@@H]1[C@H]1C[C@@H]12 (C8H12O) |
no structure | The exo-anti acetate of tricyclo[3.2.1.0(2,4)]octan-8-ol was served as the free alcohol, a structure that is certainly wrong; it is served without structure, with its formula C10H14O2, apart from the other acetates and the alcohols. | 2026-11-02 |
| Stannane, (acetyloxy)triphenyl- | CC(=O)[O-].[Sn].c1ccccc1.c1ccccc1.c1ccccc1 (C20H18O2Sn) |
CC(=O)[O][Sn]([c]1ccccc1)([c]1ccccc1)[c]1ccccc1, C20H18O2Sn |
Triphenyltin acetate is a covalent organotin compound and the served ionic fragment structure is replaced by the recorded covalent one. | 2026-11-02 |
| METHYLTRIPHENYLPHOSPHONIUM BROMIDE | CP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1 (C19H18BrP) |
C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-], C19H18BrP |
Methyltriphenylphosphonium bromide is a salt: the literature and stored InChI give the phosphonium cation and bromide ion, not a pentavalent P-Br. | 2026-11-02 |
| 7-Oxabicyclo[4.1.0]heptane, oxiranyl- | C1CCC2OC2C1.CC1CO1 (C9H16O2) |
no structure | Vinyl cyclohexene dioxide was served as two separate small epoxides, and its name does not place the oxiranyl group on the ring, so it is served with no structure. | 2026-11-02 |
| 4,5-dihydro-2,(4 or 5)-dimethyl-3(2H)- thiophenone | CC1CSC(C)C1=O (C6H10OS) |
no structure | The name '2,(4 or 5)-dimethyl' names a mixture of position isomers and cannot keep the 2,4-dimethyl structure. | 2026-11-02 |
| (E)-3-methyl-2-pentenoic acid | CC=CC(C)C(=O)O (C6H10O2) |
no structure | (E)-3-Methyl-2-pentenoic acid is drawn as 2-methyl-3-pentenoic acid, a different acid served under its own id; the right structure is in no record or other id, so it is served without a structure, with its formula C6H10O2. | 2026-11-02 |
| dipropylene glycol, # 4 | CC(O)COC(C)CO (C6H14O3) |
no structure | 'Dipropylene glycol, # 3' and '# 4' are numbered isomers of an isomer mixture with no known structure, so the single isomer drawn is withdrawn. | 2026-11-02 |
| Dipropylene glycol, # 3 | CC(O)COC(C)CO (C6H14O3) |
no structure | 'Dipropylene glycol, # 3' and '# 4' are numbered isomers of an isomer mixture with no known structure, so the single isomer drawn is withdrawn. | 2026-11-02 |
| 1,2,3 propanetriol diacetate | CC(=O)OCC(CO)OC(C)=O (C7H12O5) |
no structure | The CAS and name denote glycerol diacetate without positions, so no single isomer structure applies; 1,2-diacetin has its own id. | 2026-11-02 |
| Vanadium, tributoxyoxo-, (T-4)- | CCCC[O-].CCCC[O-].CCCC[O-].O.[V] (C12H27O4V) |
CCCC[O-].CCCC[O-].CCCC[O-].[O].[V+3], C12H27O4V |
Tributyl vanadate is served with a water molecule and neutral vanadium (C12H29O4V, net charge -3), while its WebBook InChI gives the oxovanadium tributoxide C12H27O4V that matches the stored formula and mass. | 2026-11-02 |
| 4-Phenylbutylammonium chloride | C[N+](C)(C)CCCCc1ccccc1.Cl (C10H16ClN) |
no structure | 4-Phenylbutylammonium chloride was served as the N,N,N-trimethyl quaternary salt, a structure that is certainly wrong; it is served without structure, with its formula C10H16ClN. | 2026-11-02 |
| Ni-TETMP complex | CCC1=C(C)C2=[N]3->[Ni]45<-[N]6=C(C=c7c(C)c(CC)c([n]74)=C2)C(CC)=C(C)C6=Cc2c(CC)c(C)c([n]25)C=C13 (C32H36N4Ni) |
CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.[Ni+2], C32H36N4Ni |
The nickel tetraethyltetramethylporphyrin complex is served with a dative-bond SMILES from which no InChI can be computed; its WebBook InChI gives the same complex as a porphyrin dianion and nickel(II), C32H36N4Ni. | 2026-11-02 |
| TiO-TETMP complex | CCC1=C(C)C2=[N]3->[Ti]45(=[O])<-[N]6=C(C=c7c(C)c(CC)c([n]74)=C2)C(CC)=C(C)C6=Cc2c(CC)c(C)c([n]25)C=C13 (C32H36N4OTi) |
CCC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5CC)c(C)c4CC)c(C)c3CC.[O].[Ti+2], C32H36N4OTi |
The oxotitanium tetraethyltetramethylporphyrin complex is served with a dative-bond SMILES from which no InChI can be computed; its WebBook InChI gives the same complex as a porphyrin dianion with an oxotitanium(IV) centre, C32H36N4OTi. | 2026-11-02 |
| Cardanol C17:1 (TMS) | CCCCCC/C=C\CCCCCCCCCc1cccc(O[Si](C)(C)C)c1 (C26H46OSi) |
no structure | The name gives a C17 monoene side chain without the position or geometry of the double bond, so the compound is served by formula only. | 2026-11-02 |
| GA4, MO-TMS | C=C1CC[C@]23C[C@H]1CC[C@H]2[C@@]12CC[C@H](O[Si](C)(C)C)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O[Si](C)(C)C (C26H42O5Si2) |
no structure | The drawing has a C20 skeleton with a six-membered ring D, which is not gibberellin A4 (C19, bicyclo[3.2.1]octane C/D rings), and no record holds GA4 bis-TMS, so it is served without a structure. | 2026-11-02 |
| Mercury, chloro-2-thienyl- | Cl.[Hg].c1ccsc1 (C4H3ClHgS) |
Cl[Hg]c1cccs1, C4H3ClHgS |
The served SMILES is thiophene, HCl and mercury as separate pieces with the wrong formula; the compound is 2-thienylmercuric chloride. | 2026-11-02 |
| Phenyl tin trichloride | Cl.Cl.Cl.[Sn].c1ccccc1 (C6H5Cl3Sn) |
[Cl][Sn]([Cl])([Cl])[c]1ccccc1, C6H5Cl3Sn |
Phenyltin trichloride is one covalent molecule, not separate fragments. | 2026-11-02 |
| Calcium oxalate monohydrate | O.O=C([O-])C(=O)[O-].[Ca] (C2CaO4.H2O) |
O.O=C([O-])C(=O)[O-].[Ca+2], C2H2CaO5 |
All three are calcium oxalate monohydrate, as their sources' formula and InChI give, so they are one substance; it is served with the calcium dication, which the stored InChI carries and two drawings had lost. | 2026-11-02 |
| Ethylphosphonoselenoic dichloride | CCP(Cl)(Cl)=[SeH] (C2H5Cl2PSe) |
CCP(Cl)(Cl)=[Se], C2H5Cl2PSe |
The record structure is the selenide P=Se, the served SMILES carries an extra hydrogen on selenium. | 2026-11-02 |
| sodium propanoate | CCC(=O)[O-].[Na] (C3H5NaO2) |
CCC(=O)[O-].[Na+], C3H5NaO2 |
The same substance, sodium propionate: one structure, synonymous names; one id served a neutral Na atom. | 2026-11-02 |
| Ammonium samarium oxalate, hydrate | NOC(=O)C(=O)[O][Sm]1[O]C(=O)C(=O)[O][Sm]([O]C(=O)C(=O)ON)[O]C(=O)C(=O)[O]1.O.O.O.O.O.O (C8H16N2O22Sm2) |
no structure | The served SMILES wrongly bonds the ammonium nitrogen to oxygen, giving the wrong formula. | 2026-11-02 |
| N-ACETYL-D-GLUCOSAMINE | CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O (C8H15NO6) |
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO, C8H15NO6 |
The served SMILES is a pyranose with the gulo configuration at C3 and C4 (InChIKey OVRNDRQMDRJTHS-QQGCVABSSA-N), not N-acetyl-D-glucosamine; both thermodynamics records give D-gluco N-acetylglucosamine, (2R,3R,4S,5R), without an anomer, which matches the name. | 2026-11-02 |
| C8H18Cl2Sn | Cl.Cl.[CH2]C(C)C.[CH2]C(C)C.[Sn] (C8H18Cl2Sn) |
CC(C)C[Sn](Cl)(Cl)CC(C)C, C8H18Cl2Sn |
The served disconnected radical SMILES does not reproduce the stored InChI; the covalent diisobutyltin dichloride does. | 2026-11-02 |
| 2-[2-Chlorophenyl]propenoic acid | C/C(=C/C(=O)O)c1ccccc1Cl (C10H9ClO2) |
O=C(O)/C=C/c1ccccc1Cl, C9H7ClO2 |
CAS 4513-41-1 is (E)-2-chlorocinnamic acid (C9H7ClO2); the served structure carries an extra methyl. | 2026-11-02 |
| 5-Chloro-2-trichloromethyl pyridine | Clc1ccc(C(Cl)(Cl)Cl)nc1 (C6H3Cl4N) |
no structure | CAS 69045-78-9 and its index name describe 2-chloro-5-(trichloromethyl)pyridine, while the drawing and the WebBook primary name repeat the isomer already served under its own CAS; the right structure is held by no record or other id, so it is served without a structure, with its formula C6H3Cl4N. | 2026-11-02 |
| Calcium lactate pentahydrate | CC(O)C(=O)[O-].CC(O)C(=O)[O-].O.O.O.O.O.[Ca] (C6H10CaO6) |
CC(O)C(=O)[O-].CC(O)C(=O)[O-].O.O.O.O.O.[Ca+2], C6H20CaO11 |
The served calcium lactate pentahydrate lacks the calcium charge, giving a wrong key, and its formula omits the water. | 2026-11-02 |
| Trimethylantimony dibromide | Br.Br.C.C.C.[Sb] (C3H9Br2Sb) |
[CH3][Sb]([CH3])([CH3])([Br])[Br], C3H9Br2Sb |
The served SMILES lost the bonds and the methyl hydrogens, while the record gives trimethylantimony dibromide with C3H9Br2Sb. | 2026-11-02 |
| Sulfonyl-m,p'-dibenzoic acid, diphenacyl ester | O=C(COC(=O)c1cccc(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c1)c1ccccc1 (C30H22O8S) |
no structure | The m,p', o,p' and o,m' isomers of sulfonyldibenzoic acid diphenacyl ester are all drawn as the m,m' isomer and no record holds their own structures, so they are served without a structure, with their formula C30H22O8S. | 2026-11-02 |
| Sulfonyl-o,p'-diphenacyldibenzoate | O=C(COC(=O)c1cccc(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c1)c1ccccc1 (C30H22O8S) |
no structure | The m,p', o,p' and o,m' isomers of sulfonyldibenzoic acid diphenacyl ester are all drawn as the m,m' isomer and no record holds their own structures, so they are served without a structure, with their formula C30H22O8S. | 2026-11-02 |
| Sulfonyl-o,m'-dibenzoic acid, diphenacyl ester | O=C(COC(=O)c1cccc(S(=O)(=O)c2cccc(C(=O)OCC(=O)c3ccccc3)c2)c1)c1ccccc1 (C30H22O8S) |
no structure | The m,p', o,p' and o,m' isomers of sulfonyldibenzoic acid diphenacyl ester are all drawn as the m,m' isomer and no record holds their own structures, so they are served without a structure, with their formula C30H22O8S. | 2026-11-02 |
| Doronenine | C/C1=C\C(=O)OC2CCC3CC=C(COC(=O)C(C)(O)C(C)C1)N32 (C18H25NO5) |
no structure | The served drawing joins the necine nitrogen to the ester-bearing and the hydroxymethyl-bearing carbons, which is not a pyrrolizidine alkaloid skeleton, and no served compound carries doronenine, so the compound is served by formula only. | 2026-11-02 |
CAS numbers corrected
A compound served with the CAS number of another substance takes its own, or none when the sources give none; its structure and id are listed above when they changed too.
| Compound | CAS before | CAS now | Why | Since |
|---|---|---|---|---|
| 1,3,8-p-Menthatriene | 21195-59-5 | 18368-95-1 | The WebBook page for CAS 21195-59-5 is p-mentha-1,5,8-triene, and CAS 18368-95-1 is 1,3,8-p-menthatriene; each id gets the structure and CAS of its own records. | 2026-11-02 |
| 5-Tridecanone | 57702-05-3 | 30692-16-1 | CAS 57702-05-3 is the position-unspecified tridecanone, while the 5-tridecanone compound carries the WebBook and literature CAS 30692-16-1. | 2026-11-02 |
| Cyclohexene, 1-methyl-5-(1-methylethenyl)- | 1461-27-4 | 13898-73-2 | 15-375-9 is served as (R) with the (R) CAS but its structure is stereo-free and its own unspecified record gives the plain name and CAS 13898-73-2. | 2026-11-02 |
| «alpha»-Himachalene | none | 3853-83-6 | The two ids are different substances: the CAS 3853-83-6 entry is alpha-himachalene (exocyclic methylene), while gamma-himachalene has four methyls. | 2026-11-02 |
| 2-DODECEN-1-OL | 69064-37-5 | none | CAS 69064-37-5 is trans-2-dodecen-1-ol, so the stereo-unspecified 2-dodecen-1-ol must not carry it. | 2026-11-02 |
| Benzaldehyde, 2-hydroxy-3-methoxy- | 121-33-5 | 148-53-8 | CAS 121-33-5 is vanillin (4-hydroxy-3-methoxybenzaldehyde); 2-hydroxy-3-methoxybenzaldehyde carries CAS 148-53-8. | 2026-11-02 |
| 3-Tetradecene | 41446-67-7 | none | CAS 41446-67-7 is (Z)-3-tetradecene, so the stereo-unspecified 3-tetradecene must not carry it, while the (Z) compound draws its Z bond. | 2026-11-02 |
| Elaidic acid | 2027-47-6 | 112-79-8 | The compound is elaidic acid, CAS 112-79-8, by its only record, and keeps its E configuration; CAS 2027-47-6 is the unspecified 9-octadecenoic acid. | 2026-11-02 |
| 2-Butenoic acid, 2-methyl-, methyl ester | 6622-76-0 | 41725-90-0 | The unspecified 2-methyl-2-butenoate must not carry the CAS of methyl tiglate (E); the WebBook CAS for the unspecified ester is 41725-90-0. | 2026-11-02 |
| Heptane, 2,3,3-trimethyl- | 16747-28-7 | 52896-93-2 | CAS 16747-28-7 is 2,3,3-trimethylhexane; 2,3,3-trimethylheptane carries CAS 52896-93-2. | 2026-11-02 |
| 3-OCTENE, 2,2-DIMETHYL- | 19482-57-6 | 86869-76-3 | CAS 19482-57-6 is 2,2-dimethyl-3-octyne; 2,2-dimethyl-3-octene carries CAS 86869-76-3 and, named without configuration, a stereo-free structure. | 2026-11-02 |
| Octyl palmitate | 29806-73-3 | 16958-85-3 | CAS 29806-73-3 is 2-ethylhexyl palmitate; n-octyl palmitate carries CAS 16958-85-3. | 2026-11-02 |
Records set aside
A source record whose own substance is not a compound Cheméo serves (another enantiomer, a dimer, another isomer) is not served on the compound it had landed on.
| Record | Was on | Why | Since |
|---|---|---|---|
| KDB_pvap_dipropylene-glycol | 92-512-1 | Not served: CAS 25265-71-8 names the mixture of dipropylene glycol isomers, and the compound is the single isomer 2-(2-hydroxypropoxy)propan-1-ol (106-62-7). | 2026-11-02 |
| chedl-bradley-2014:83-46-5 | 22-297-8 | Not served: CAS 83-46-5 is beta-sitosterol, not generic sitosterol | 2026-11-02 |
| nist-webbook_B6000541 | 74-886-7 | Not served: the WebBook page is the monohydrate (formula H2Li2O5S, MW 127.960, IR spectrum), a hydrate Cheméo does not serve | 2026-11-02 |
| nist-webbook_B6005341 | 13-036-7 | Not served: Z (maleate) row, not a fumarate; no served compound is the maleate salt. | 2026-11-02 |
| nist-webbook_C10241040 | 49-247-4 | Not served: The record is cobalt trichloride, CAS 10241-04-0, CoCl3, a substance Cheméo does not serve. | 2026-11-02 |
| nist-webbook_C10405842 | 13-770-2 | Not served: cis-4-Nonene, CAS 10405-84-2, a different substance; no served cid (find on Z key returns only the mis-stored 41-358-9). Sits on both cids. | 2026-11-02 |
| nist-webbook_C11028425 | 65-463-6 | Not served: Cedrene, generic CAS 11028-42-5, stereo-unspecified. | 2026-11-02 |
| nist-webbook_C12265826 | 57-480-6 | Not served: The page is lithium fluoride dimer Li2F2, not the LiF monomer. | 2026-11-02 |
| nist-webbook_C12285540 | 12-259-1 | Not served: Formula Cs2F2 (dimer), CAS 12285-54-0, no served dimer compound. | 2026-11-02 |
| nist-webbook_C12395663 | 63-227-0 | Not served: Record is the dimer (KOH)2, H2K2O2, no served compound fits. | 2026-11-02 |
| nist-webbook_C12595823 | 26-079-6 | Not served: WebBook page for C5 (CAS 12595-82-3, formula C5), a substance Cheméo does not serve | 2026-11-02 |
| nist-webbook_C17949869 | 36-191-0 | Not served: WebBook page for CAS 17949-86-9 is the Al2F6 dimer (formula Al2F6, mass 167.95), not AlF3; no served compound fits | 2026-11-02 |
| nist-webbook_C18898356 | 71-086-8 | Not served: CAS 18898-35-6, InChI Al2I6: the dimer, no served compound fits | 2026-11-02 |
| nist-webbook_C19912675 | 65-132-3 | Not served: 1-epi-cubenol, CAS 19912-67-5, another epimer; no served cid. | 2026-11-02 |
| nist-webbook_C2320301 | 69-432-6 | Not served: 3,5-dimethylcyclohexanone unspecified, CAS 2320-30-1; no served generic cid (find returns cis 69-432-6, 70-974-3 and trans 27-645-6 only). | 2026-11-02 |
| nist-webbook_C23670599 | 49-247-4 | Not served: The record is the dimer Co2Cl4 (formula Cl4Co2), not cobalt(II) chloride CoCl2. | 2026-11-02 |
| nist-webbook_C2492220 | 15-571-1 | Not served: cis-2,6-dimethyl-2,6-octadiene, CAS 2492-22-0; no served cid carries it (Z key only on 15-571-1, mis-stored). | 2026-11-02 |
| nist-webbook_C2787431 | 41-638-8 | Not served: (E)-3-methyl-1,3-pentadiene, CAS 2787-43-1, not served as its own cid (only the generic 63-601-4 and these Z ids). | 2026-11-02 |
| nist-webbook_C31089904 | 54-050-6 | Not served: The page names alpha-damascone but its structure rows draw the but-3-enoyl isomer, which no served compound is. | 2026-11-02 |
| nist-webbook_C3374229 | 56-649-0 | Not served: dl-cysteine, CAS 3374-22-9, racemate not served. | 2026-11-02 |
| nist-webbook_C35376397 | 31-608-2 | Not served: The page names one substance and draws another. | 2026-11-07 |
| nist-webbook_C5258117 | 69-730-5 | Not served: (2R,4R)-rose oxide enantiomer, CAS 5258-11-7, not served as its own cid. | 2026-11-02 |
| nist-webbook_C547604 | 70-061-6 | Not served: The record is the (1alpha,2alpha,5alpha) isomer of pinocamphone, CAS 547-60-4, which no served compound clearly is. | 2026-11-02 |
| nist-webbook_C55056627 | 23-207-6 | Not served: dl-isoleucine ethyl ester, CAS 55056-62-7, a racemate not served. | 2026-11-02 |
| nist-webbook_C58790413 | 48-839-8 | Not served: WebBook page is the Mg2F4 dimer (F4Mg2, CAS 58790-41-3), no served compound fits | 2026-11-02 |
| nist-webbook_C59293673 | 13-774-8 | Not served: The page of CAS 59293-67-3, 2,4-dichlorobenzyl mercaptan, which Cheméo does not serve. | 2026-11-07 |
| nist-webbook_C5953764 | 39-056-7 | Not served: methyl (Z)-2-methyl-2-butenoate (angelate), CAS 5953-76-4, not served; sits on 39-056-7. | 2026-11-02 |
| nist-webbook_C70786446 | 16-289-4 | Not served: 3,6-dimethyl-2,3,3a,4,5,7a-hexahydrobenzofuran, CAS 70786-44-6, stereo-unspecified, no served cid. | 2026-11-02 |
| nist-webbook_C842740 | 115-840-1 | Not served: Hippuric-benzaldehyde azalactone, CAS 842-74-0, names the azlactone without E/Z; no stereo-unspecified compound is served for it | 2026-11-02 |
| nist-webbook_C89792 | 67-028-7 | Not served: The record is (-)-isopulegol, CAS 89-79-2, with its configuration, and no served compound is that stereoisomer. | 2026-11-02 |
| nist-webbook_R198519 | 22-285-1 | Not served: The row joins two compound names; its substance cannot be identified. | 2026-11-07 |
| nist-webbook_R202801 | 36-859-9 | Not served: Named 4-mercaptopentan-2-ol, drawn as the ketone. | 2026-11-07 |
| nist-webbook_R498012 | 48-149-4 | Not served: The page names one cis isomer of 4-ethyl-5-methyl-2-nonyl-3-thiazoline but carries two configurations, served on two compounds, so which data belongs to which isomer is unknown. | 2026-11-02 |
| nist-webbook_R581050 | 11-017-0 | Not served: This page is isomer # 1, a different derivative isomer not served. | 2026-11-02 |
| nist-webbook_R594888 | 77-872-9 | Not served: The page names 1-allyl-3-methylbenzene and draws 1-bromo-4-methylcyclohexene, so which substance its data belong to is unknown. | 2026-11-02 |
| nist-webbook_R600443 | 56-314-1 | Not served: The page names epi-cubebol but its structure is C15H24O with a ring double bond, not the epi-cubebol of the compound. | 2026-11-02 |
| tml_10-1016-j-fluid-2012-05-027_acetic-acid_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_butan-1-ol_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_ethanol_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_ethyl-acetate_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_levofloxacin | 110-345-6 | Not served: Levofloxacin, the (S) enantiomer, which Cheméo does not serve; ofloxacin is the racemate. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_propan-1-ol_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2012-05-027_propan-2-ol_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-fluid-2013-08-032_3-chlorophthalic-anhydride | 98-762-8 | Not served: 3-chlorophthalic anhydride record, a different substance (Cl next to the ring fusion); no served compound has it | 2026-11-02 |
| tml_10-1016-j-fluid-2015-03-052_dilithium-sulfate-monohydrate | 74-886-7 | Not served: its own substance is lithium sulfate monohydrate (name and InChI H2Li2O5S), a hydrate Cheméo does not serve | 2026-11-02 |
| tml_10-1016-j-fluid-2015-03-052_water_.sodium-sulfate._dilithium-sulfate-monohydrate | 74-886-7 | Not served: A mixture of lithium sulfate monohydrate. | 2026-11-08 |
| tml_10-1016-j-jct-2014-08-005_4-oxa-17-heptanediol | 62-078-7 | Not served: 3,3'-oxybis(propan-1-ol), a different compound | 2026-11-02 |
| tml_10-1016-j-jct-2016-09-027_2-aminoacetic-acid_.water._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-jct-2016-09-027_l-valine_.water._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-jct-2016-09-027_levofloxacin | 110-345-6 | Not served: Levofloxacin, the (S) enantiomer, which Cheméo does not serve; ofloxacin is the racemate. | 2026-11-07 |
| tml_10-1016-j-jct-2016-09-027_s-2-aminopropanoic-acid_.water._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-jct-2016-09-027_water_._levofloxacin | 110-345-6 | Not served: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| tml_10-1016-j-jct-2016-09-038_2s-3s-paclobutrazol | 41-326-4 | Not served: single (2S,3S) enantiomer, no served compound | 2026-11-02 |
| tml_10-1016-j-jct-2018-01-013_1r-2r-cyclohexane-12-diamine | 37-312-4 | Not served: Named (1R,2R)-cyclohexane-1,2-diamine; no served compound is that enantiomer. | 2026-11-07 |
| tml_10-1016-j-jct-2018-01-013_2-methyl-1-propanol_.water._1r-2r-cyclohexane-12-diamine | 37-312-4 | Not served: A mixture of (1R,2R)-1,2-diaminocyclohexane. | 2026-11-07 |
| tml_10-1016-j-jct-2018-01-013_3-methylbutan-1-ol_.water._1r-2r-cyclohexane-12-diamine | 37-312-4 | Not served: A mixture of (1R,2R)-1,2-diaminocyclohexane. | 2026-11-07 |
| tml_10-1016-j-jct-2018-02-016_beta-cedrene | 65-463-6 | Not served: beta-cedrene InChI t11-,12+,13+,15+ (natural beta-cedrene) differs from the named (3R,3aR,7R,8aS) isomer; natural beta-cedrene is not this id. | 2026-11-02 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan | 32-606-3 | Not served: D-tryptophan record on the L-tryptophan compound; no served D compound found | 2026-11-02 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_._dimethylformamide | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_.dimethylformamide._water | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_._ethanol | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_.ethanol._water | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_._methanol | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_.methanol._water | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_._propan-2-ol | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_.propan-2-ol._water | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-08-018_d-tryptophan_._water | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1016-j-jct-2018-12-013_isolongifolene | 19-054-1 | Not served: Isolongifolene is a different substance (trisubstituted ring alkene), no served compound fits. | 2026-11-02 |
| tml_10-1016-j-tca-2009-09-001_12-cyclohexanediol-1s-2s | 34-199-4 | Not served: (1S,2S) single trans enantiomer, no served compound | 2026-11-02 |
| tml_10-1016-j-tca-2012-02-004_2r-5r-25-hexanediol | 62-543-0 | Not served: (2R,5R) single stereoisomer, no served compound | 2026-11-02 |
| tml_10-1016-j-tca-2012-02-004_2s-5s-25-hexanediol | 62-543-0 | Not served: The record is the (2S,5S) enantiomer and no served compound is that stereoisomer. | 2026-11-02 |
| tml_10-1021-acs-jced-5b00526_3-chlorophthalic-anhydride | 98-762-8 | Not served: 3-chlorophthalic anhydride record, a different substance (Cl next to the ring fusion); no served compound has it | 2026-11-02 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan | 32-606-3 | Not served: D-tryptophan record on the L-tryptophan compound; no served D compound found | 2026-11-02 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._12-ethanediol | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._acetonitrile | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._butan-1-ol | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._dimethyl-sulfoxide | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._ethyl-acetate | 51-895-2 | Not served: A mixture of D-tryptophan. | 2026-11-08 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._octan-1-ol | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1021-acs-jced-9b00258_d-tryptophan_._propan-1-ol | 32-606-3 | Not served: A mixture of D-tryptophan. | 2026-11-07 |
| tml_10-1021-je020204q_225-endo-6-exo-88910-octachlorobornane | 85-982-8 | Not served: Record names the 8,8,9,10 congener, a diastereomer not served as its own compound | 2026-11-02 |
| tml_10-1021-je049582g_r-alpha-aminobutyric-acid | 11-205-1 | Not served: The record is the R enantiomer and the served compounds are S or racemic. | 2026-11-02 |
| tml_10-1021-je049582g_r-alpha-aminobutyric-acid_._water | 11-205-1 | Not served: A mixture of (R)-2-aminobutyric acid. | 2026-11-08 |
| tml_10-1021-je049960h_4-oxa-17-heptanediol | 62-078-7 | Not served: 3,3'-oxybis(propan-1-ol), a different compound | 2026-11-02 |
| tml_10-1021-je0503857_4-heptadecanol | 74-512-1 | Not served: The record is 4-heptadecanol, a different compound; no served compound has that structure. | 2026-11-02 |
| tml_10-1021-je0503857_6-heptadecanol | 74-512-1 | Not served: The record is 6-heptadecanol and the compound is 9-heptadecanol, a different position isomer. | 2026-11-02 |
| tml_10-1021-je0503857_7-heptadecanol | 74-512-1 | Not served: The record is 7-heptadecanol and the compound is 9-heptadecanol, a different position isomer. | 2026-11-02 |
| tml_10-1021-je2005006_water_._sodium-perchlorate-monohydrate | 62-065-1 | Not served: A mixture of sodium perchlorate monohydrate. | 2026-11-08 |
| tml_10-1021-je3009039_4-oxa-17-heptanediol | 62-078-7 | Not served: 3,3'-oxybis(propan-1-ol), a different compound | 2026-11-02 |
| tml_10-1021-je301014d_3r-6r-36-dimethyl-14-dioxane-25-dione | 12-306-8 | Not served: its own name and InChI are (3R,6R)-lactide (D-lactide), which no served cid holds; 81-053-3 is the (3S-cis) L-lactide | 2026-11-02 |
| tml_10-1021-je3012452_2r-3r-2-ethyl-3-methylpentanamide | 37-456-5 | Not served: (2R,3R) single stereoisomer, no served compound | 2026-11-02 |
| tml_10-1021-je3012452_2r-3s-2-ethyl-3-methylpentanamide | 37-456-5 | Not served: The record is the single (2R,3S) stereoisomer and the only compound is stereo-free valnoctamide. | 2026-11-02 |
| tml_10-1021-je3012452_2s-3r-2-ethyl-3-methylpentanamide | 37-456-5 | Not served: The record is the (2S,3R) stereoisomer and no served compound is that stereoisomer. | 2026-11-02 |
| tml_10-1021-je3012452_2s-3s-2-ethyl-3-methylpentanamide | 37-456-5 | Not served: The record is the (2S,3S) stereoisomer and no served compound is that stereoisomer. | 2026-11-02 |
| tml_10-1021-je3013588_3-chlorophthalic-anhydride | 98-762-8 | Not served: 3-chlorophthalic anhydride record, a different substance (Cl next to the ring fusion); no served compound has it | 2026-11-02 |
| tml_10-1021-je800869g_3-chlorophthalic-anhydride | 98-762-8 | Not served: 3-chlorophthalic anhydride record, a different substance (Cl next to the ring fusion); no served compound has it | 2026-11-02 |
| tml_10-1021-je9009909_beta-sitosterol | 22-297-8 | Not served: beta-sitosterol (24R) record, no served beta-sitosterol compound | 2026-11-02 |
| watersolubility/AqueousDataset002.xlsx_1622 | 110-345-6 | Not served: Named nitrofurantoin with the structure of ofloxacin. | 2026-11-07 |
| watersolubility/AqueousDataset002.xlsx_2225 | 54-017-3 | Not served: Row named ranitidine carries the smiles of a fluoroquinolone, not ranitidine. | 2026-11-02 |
| watersolubility/AqueousDataset002.xlsx_866 | 97-640-4 | Not served: The row pairs the name bupivacaine with the chlorprothixene structure, so it fits neither compound reliably. | 2026-11-02 |
| yaws_antoine_3-methyl-1-trans-3-pentadiene_c6h10 | 41-638-8 | Not served: trans (E) isomer, CAS 2787-43-1, not served. | 2026-11-02 |
| yaws_antoine_cis-26-dimethyl-26-octadiene_c10h18 | 15-571-1 | Not served: cis isomer, CAS 2492-22-0, not served. | 2026-11-02 |
| yaws_antoine_cis-bicyclo-4-2-0-octane_c8h14 | 31-597-5 | Not served: cis-specific name and CAS 28282-35-1, no served cis compound | 2026-11-02 |
Retired compound ids
A compound id whose only source rows belong to another substance, or to no identifiable substance, is no longer served. The id is not reused.
| Id | Compound | Why | Since |
|---|---|---|---|
| 13-774-8 | 3,4-Dichlorobenzyl mercaptan | A second id of 3,4-dichlorobenzyl mercaptan, made from rows of that compound's own page; the compound is 55-301-6. | 2026-11-07 |
| 22-285-1 | 10-epi-Cubenol-12-nor-Ziza-6(13)-en-2-«beta»-ol | The id exists only through a page row that joins the names of two compounds, so its substance cannot be identified. | 2026-11-07 |
| 31-608-2 | cis-p-2-Menthen-1-ol | Its only page names cis-p-menth-2-en-1-ol and gives the CAS number and structure of cis-4-tert-butylcyclohex-2-en-1-ol, so the substance of its data is unknown. | 2026-11-07 |
| 36-859-9 | 4-Mercaptopentan-2-ol | Its only page names an alcohol and draws the ketone, so the substance of its data is unknown. | 2026-11-07 |
Retired mixture ids
A mixture whose records all belong to other compounds once their identity was corrected keeps no id of its own: its id is retired, never reused, and leads to the mixture that received most of its records.
| Retired id | Mixture | Now | Why | Since |
|---|---|---|---|---|
| 10-392-f | D-Methionine + Water | L-Methionine + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 10-393-e | D-Leucine + Water | L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 10-432-a | D-Alanine + Tetramethylammonium bromide + Water | L-Alanine + Tetramethylammonium bromide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 10-435-h | D-Alanine + Tetraethylammonium bromide + Water | L-Alanine + Tetraethylammonium bromide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 10-438-e | D-Alanine + Tetra-N-butylammonium bromide + Water | L-Alanine + Tetra-N-butylammonium bromide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 10-620-b | D-Aspartic acid + TETRAMETHYLAMMONIUM CHLORIDE + Water | TETRAMETHYLAMMONIUM CHLORIDE + L-Aspartic acid + Water | Its records belong to L-Aspartic acid, not to D-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 10-621-a | D-Glutamic acid + sodium chloride + Water | L-Glutamic acid + sodium chloride + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 10-782-c | D-Glutamic acid + Tyrosine + Water | L-Glutamic acid + Tyrosine + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 10-783-b | D-Glutamic acid + Water | L-Glutamic acid + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 10-794-k | Ofloxacin + Ethanol | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-795-j | Ofloxacin + 1-Propanol | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-796-h | Ofloxacin + 2-Propanol | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-797-g | Ofloxacin + 1-Butanol | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-798-f | Ofloxacin + Acetic acid | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-799-e | Ofloxacin + Ethyl Acetate | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 10-940-g | D-Methionine + Methyl Alcohol + Water | L-Methionine + Methyl Alcohol + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 10-941-f | Ethanol + D-Methionine + Water | L-Methionine + Ethanol + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 10-942-e | D-Methionine + Acetone + Water | L-Methionine + Acetone + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 11-196-c | D-Alanine + d-Mannose + Water | L-Alanine + d-Mannose + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 11-197-b | D-Valine + d-Mannose + Water | L-Valine + d-Mannose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 11-491-e | D-Alanine + Glucose + Water | L-Alanine + Glucose + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 11-492-d | Sucrose + D-Alanine + Water | Sucrose + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 11-503-a | D-Valine + Water + Tetradonium Bromide | L-Valine + Water + Tetradonium Bromide | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 11-504-k | D-Leucine + Water + Tetradonium Bromide | L-Leucine + Water + Tetradonium Bromide | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 11-681-d | Carbon dioxide + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | Carbon dioxide + D-Limonene | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 11-867-h | potassium chloride + D-Serine + Water | potassium chloride + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 11-949-g | D-Alanine + Vitamin C + Water | L-Alanine + Vitamin C + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 11-950-e | D-Valine + Vitamin C + Water | L-Valine + Vitamin C + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 11-954-a | D-Valine + Water | L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 12-069-c | Ofloxacin + Glycine + Water | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 12-070-a | Ofloxacin + D-Alanine + Water | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 12-071-k | Ofloxacin + D-Valine + Water | not served | Its records are set aside: A mixture of levofloxacin, served on racemic ofloxacin. | 2026-11-07 |
| 12-082-h | D-Alanine + Streptomycin sulfate + Water | L-Alanine + Streptomycin sulfate + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 12-083-g | D-Valine + Streptomycin sulfate + Water | L-Valine + Streptomycin sulfate + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 12-144-j | Lactose + D-Alanine + Water | Lactose + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 12-145-h | Lactose + D-Valine + Water | L-Valine + Lactose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 12-146-g | Lactose + D-Leucine + Water | L-Leucine + Lactose + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 12-194-d | D-Serine + Acetic acid, sodium salt + Water | L-Serine + Acetic acid, sodium salt + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 12-196-b | D-Serine + Magnesium acetate + Water | L-Serine + Magnesium acetate + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 12-591-c | (1S,2S)-(+)-1,2-Diaminocyclohexane + 1-Propanol, 2-methyl- + Water | not served | Its records are set aside: A mixture of (1R,2R)-1,2-diaminocyclohexane. | 2026-11-07 |
| 12-592-b | 1-Butanol, 3-methyl- + (1S,2S)-(+)-1,2-Diaminocyclohexane + Water | not served | Its records are set aside: A mixture of (1R,2R)-1,2-diaminocyclohexane. | 2026-11-07 |
| 12-671-d | Ammonium sulfate + D-Serine + Water | Ammonium sulfate + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 12-721-h | potassium chloride + D-Alanine + Water | potassium chloride + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-039-e | Pentoxifylline + D-Alanine + Water | Pentoxifylline + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-040-c | Pentoxifylline + D-Valine + Water | Pentoxifylline + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-050-b | Betaine + D-Alanine + Water | Betaine + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-051-a | Betaine + D-Valine + Water | Betaine + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-052-k | Betaine + D-Leucine + Water | Betaine + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-296-k | Ethanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Water | D-Limonene + Ethanol + Water | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 13-374-c | D-Alanine + Sodium nitrate + Water | L-Alanine + Sodium nitrate + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-375-b | D-Serine + Sodium nitrate + Water | Sodium nitrate + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 13-377-k | D-Alanine + Sodium perchlorate + Water | L-Alanine + Sodium perchlorate + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-378-j | D-Serine + Sodium perchlorate + Water | L-Serine + Sodium perchlorate + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 13-515-f | xylose + D-Alanine + Water | xylose + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-516-e | xylose + D-Valine + Water | L-Valine + xylose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-579-f | DL-PHENYLALANINE + Methyl Alcohol + Water | L-Phenylalanine + Methyl Alcohol + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 13-580-d | DL-PHENYLALANINE + Ethanol + Water | Ethanol + L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 13-640-g | D-Valine + Water + Cetrimonium Bromide | L-Valine + Water + Cetrimonium Bromide | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-642-e | D-Alanine + Water + Cetrimonium Bromide | L-Alanine + Water + Cetrimonium Bromide | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-643-d | D-Leucine + Water + Cetrimonium Bromide | L-Leucine + Water + Cetrimonium Bromide | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-719-k | D-Serine + Hydrochloric acid + Water | Hydrochloric acid + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 13-720-h | sodium hydroxide + D-Serine + Water | sodium hydroxide + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 13-725-c | D-Alanine + Dimethyl Sulfoxide + Water | L-Alanine + Dimethyl Sulfoxide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-726-b | D-Serine + Dimethyl Sulfoxide + Water | Dimethyl Sulfoxide + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 13-731-f | Sucrose + D-Valine + Water | L-Valine + Sucrose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-732-e | Sucrose + D-Leucine + Water | L-Leucine + Sucrose + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-733-d | D-Leucine + Urea + Water | L-Leucine + Urea + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-734-c | Ethanol, 2-butoxy- + D-Leucine + Water | L-Leucine + Ethanol, 2-butoxy- + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-735-b | D-Leucine + 2,3-Butanediol + Water | L-Leucine + 2,3-Butanediol + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 13-738-j | D-Valine + 2,3-Butanediol + Water | L-Valine + 2,3-Butanediol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 13-747-j | D-Alanine + sodium chloride + Water | sodium chloride + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 13-898-b | Limonene + Ethanol + Water | Ethanol + Water + (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene; 1 record: Ethanol + Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- + Water | Its records belong to Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-, (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, not to Limonene, once their identity was corrected. | 2026-11-07 |
| 14-131-a | DL-PHENYLALANINE + Water | L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 14-211-b | D-Serine + Glucose + Water | Glucose + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 14-263-e | D-Limonene + «alpha»-Pinene + p-Cymene | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + «alpha»-Pinene + p-Cymene | Its records belong to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, not to D-Limonene, once their identity was corrected. | 2026-11-07 |
| 14-360-g | D-Aspartic acid + Hydrochloric acid + Water | Hydrochloric acid + L-Aspartic acid + Water | Its records belong to L-Aspartic acid, not to D-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 14-361-f | D-Glutamic acid + Hydrochloric acid + Water | L-Glutamic acid + Hydrochloric acid + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 14-362-e | sodium hydroxide + D-Aspartic acid + Water | sodium hydroxide + L-Aspartic acid + Water | Its records belong to L-Aspartic acid, not to D-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 14-363-d | sodium hydroxide + D-Glutamic acid + Water | L-Glutamic acid + sodium hydroxide + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 14-784-g | norvaline + D-Valine + Water | L-Valine + norvaline + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 14-785-f | D-Alanine + D-Valine + Water | L-Valine + L-Alanine + Water | Its records belong to L-Valine, L-Alanine, not to D-Alanine, D-Valine, once their identity was corrected. | 2026-11-07 |
| 14-816-a | D-Serine + sodium chloride + Water | sodium chloride + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-152-g | D-Serine + Ethanol | Ethanol + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-153-f | 1-Propanol + D-Serine | 1-Propanol + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-154-e | D-Serine + 2-Propanol | 2-Propanol + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-160-h | D-Serine + Ethanol + Water | Ethanol + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-161-g | 1-Propanol + D-Serine + Water | 1-Propanol + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-162-f | D-Serine + 2-Propanol + Water | 2-Propanol + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 15-220-a | Acetonitrile + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | Acetonitrile + D-Limonene | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 15-221-k | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Water | D-Limonene + Water | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 15-361-e | D-Alanine + Hydrochloric acid + Water | L-Alanine + Hydrochloric acid + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-362-d | sodium hydroxide + D-Alanine + Water | sodium hydroxide + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-492-k | D-Alanine + Piroxicam + Water | L-Alanine + Piroxicam + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-493-j | D-Valine + Piroxicam + Water | L-Valine + Piroxicam + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 15-633-c | sodium chloride + D-Leucine + Water | L-Leucine + sodium chloride + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-634-b | D-Leucine + Sodium nitrate + Water | L-Leucine + Sodium nitrate + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-635-a | Potassium nitrate + D-Leucine + Water | Potassium nitrate + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-735-k | Magnesium chloride + D-Alanine + Water | Magnesium chloride + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-736-j | Magnesium chloride + D-Leucine + Water | Magnesium chloride + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-856-f | D-Alanine + N-Methylglycine + Water | L-Alanine + N-Methylglycine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-857-e | D-Valine + N-Methylglycine + Water | L-Valine + N-Methylglycine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 15-858-d | N-Methylglycine + D-Leucine + Water | L-Leucine + N-Methylglycine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-864-g | Potassium nitrate + D-Alanine + Water | Potassium nitrate + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 15-865-f | potassium chloride + D-Valine + Water | potassium chloride + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 15-866-e | Potassium nitrate + D-Valine + Water | Potassium nitrate + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 15-867-d | potassium chloride + D-Leucine + Water | potassium chloride + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-958-c | D-Leucine + Magnesium acetate + Water | L-Leucine + Magnesium acetate + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 15-977-b | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Water + Linalool | D-Limonene + Water + Linalool | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 16-178-h | Acetone + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Water | D-Limonene + Acetone + Water | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 16-420-h | D-Alanine + Water + Methanamine, N,N-dimethyl-, N-oxide | L-Alanine + Water + Methanamine, N,N-dimethyl-, N-oxide | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 16-421-g | D-Valine + Water + Methanamine, N,N-dimethyl-, N-oxide | L-Valine + Water + Methanamine, N,N-dimethyl-, N-oxide | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 16-422-f | D-Leucine + Water + Methanamine, N,N-dimethyl-, N-oxide | L-Leucine + Water + Methanamine, N,N-dimethyl-, N-oxide | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 16-466-h | Sorbitol + D-Alanine + Water | Sorbitol + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 16-467-g | Sorbitol + D-Valine + Water | L-Valine + Sorbitol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 16-544-a | 1-Pentanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | D-Limonene + 1-Pentanol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 16-764-g | D-Alanine + Formamide + Water | L-Alanine + Formamide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 16-765-f | D-Serine + Formamide + Water | L-Serine + Formamide + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 17-041-h | Sucrose + D-Methionine + Water | Sucrose + L-Methionine + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 17-119-b | 2-Pyrrolidinone, 1-methyl- + L-Aspartic acid + Water | 2-Pyrrolidinone, 1-methyl- + D-Aspartic acid + Water | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 17-120-k | Formamide, N,N-dimethyl- + L-Aspartic acid + Water | Formamide, N,N-dimethyl- + D-Aspartic acid + Water | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 17-121-j | Dimethyl Sulfoxide + L-Aspartic acid + Water | D-Aspartic acid + Dimethyl Sulfoxide + Water | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 17-122-h | L-Aspartic acid + 1,4-Dioxane + Water | D-Aspartic acid + 1,4-Dioxane + Water | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 17-253-c | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Methyl Alcohol | D-Limonene + Methyl Alcohol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 17-254-b | Ethanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Methyl Alcohol | D-Limonene + Ethanol + Methyl Alcohol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 17-337-k | L-Tryptophan + Formamide, N,N-dimethyl- + Water | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 17-342-d | L-Tryptophan + Formamide, N,N-dimethyl- | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 17-652-k | 1,4-Butanediol + D-Valine + Water | L-Valine + 1,4-Butanediol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-670-k | Ammonium sulfate + D-Alanine + Water | Ammonium sulfate + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 17-671-j | sodium chloride + D-Valine + Water | L-Valine + sodium chloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-672-h | D-Valine + Sodium nitrate + Water | L-Valine + Sodium nitrate + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-673-g | Ammonium sulfate + D-Valine + Water | Ammonium sulfate + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-685-d | D-Valine + Lithium chloride + Water | L-Valine + Lithium chloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-686-c | lithium bromide + D-Valine + Water | L-Valine + lithium bromide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-687-b | D-Valine + lithium iodide + Water | L-Valine + lithium iodide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-688-a | D-Valine + Sodium bromide + Water | L-Valine + Sodium bromide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-689-k | D-Valine + sodium iodide + Water | L-Valine + sodium iodide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-690-h | D-Valine + Potassium bromide + Water | L-Valine + Potassium bromide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-691-g | D-Valine + potassium iodide + Water | L-Valine + potassium iodide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-692-f | D-Valine + sodium sulphate + Water | L-Valine + sodium sulphate + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-836-f | D-Glutamic acid + Ethanol + Water | L-Glutamic acid + Ethanol + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 17-837-e | 1-Propanol + D-Glutamic acid + Water | L-Glutamic acid + 1-Propanol + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 17-838-d | D-Glutamic acid + Acetone + Water | L-Glutamic acid + Acetone + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 17-841-k | Semicarbazide hydrochloride + D-Alanine + Water | Semicarbazide hydrochloride + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 17-842-j | Semicarbazide hydrochloride + D-Valine + Water | L-Valine + Semicarbazide hydrochloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 17-999-f | D-Alanine + 1,2-Propanediol, 3-chloro- | L-Alanine + 1,2-Propanediol, 3-chloro- | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-000-b | D-Valine + 1,2-Propanediol, 3-chloro- | L-Valine + 1,2-Propanediol, 3-chloro- | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-001-a | D-Leucine + 1,2-Propanediol, 3-chloro- | L-Leucine + 1,2-Propanediol, 3-chloro- | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 18-003-j | D-Alanine + 3-Chloro-1-propanol | L-Alanine + 3-Chloro-1-propanol | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-004-h | D-Valine + 3-Chloro-1-propanol | L-Valine + 3-Chloro-1-propanol | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-005-g | D-Leucine + 3-Chloro-1-propanol | L-Leucine + 3-Chloro-1-propanol | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 18-007-e | D-Alanine + 1,2-Propanediol, 3-chloro- + Water | L-Alanine + 1,2-Propanediol, 3-chloro- + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-008-d | D-Valine + 1,2-Propanediol, 3-chloro- + Water | L-Valine + 1,2-Propanediol, 3-chloro- + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-009-c | D-Leucine + 1,2-Propanediol, 3-chloro- + Water | L-Leucine + 1,2-Propanediol, 3-chloro- + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 18-013-h | D-Alanine + Water + 3-Chloro-1-propanol | L-Alanine + Water + 3-Chloro-1-propanol | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-014-g | D-Valine + Water + 3-Chloro-1-propanol | L-Valine + Water + 3-Chloro-1-propanol | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-015-f | D-Leucine + Water + 3-Chloro-1-propanol | L-Leucine + Water + 3-Chloro-1-propanol | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 18-026-d | 2-Propanol + Water + «alpha»-Pinene | (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene + 2-Propanol + Water; 1 record: 2-Propanol + Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- + Water | Its records belong to (1R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-, not to «alpha»-Pinene, once their identity was corrected. | 2026-11-07 |
| 18-331-e | DL-PHENYLALANINE + Water + L-Arabinose | L-Phenylalanine + Water + L-Arabinose | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 18-332-d | Glucose + DL-PHENYLALANINE + Water | Glucose + L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 18-333-c | Sucrose + DL-PHENYLALANINE + Water | Sucrose + L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 18-482-h | Octane + 4,7-Methano-1H-indene, octahydro- | Octane + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 18-483-g | Heptane, 3-methyl- + 4,7-Methano-1H-indene, octahydro- | (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + Heptane, 3-methyl- | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 18-484-f | Hexane, 2,4-dimethyl- + 4,7-Methano-1H-indene, octahydro- | Hexane, 2,4-dimethyl- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 18-485-e | Pentane, 2,2,4-trimethyl- + 4,7-Methano-1H-indene, octahydro- | (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + Pentane, 2,2,4-trimethyl- | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 18-594-d | D-Alanine + Ethanaminium, N,N,N-triethyl-, iodide + Water | L-Alanine + Ethanaminium, N,N,N-triethyl-, iodide + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-595-c | D-Valine + Ethanaminium, N,N,N-triethyl-, iodide + Water | L-Valine + Ethanaminium, N,N,N-triethyl-, iodide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-612-c | D-glucose anhydrous + Acetic acid + Water | Acetic acid + «alpha»-D-Glucose + Water | Its records belong to «alpha»-D-Glucose, not to D-glucose anhydrous, once their identity was corrected. | 2026-11-07 |
| 18-613-b | D-glucose anhydrous + Propanoic acid + Water | «alpha»-D-Glucose + Propanoic acid + Water | Its records belong to «alpha»-D-Glucose, not to D-glucose anhydrous, once their identity was corrected. | 2026-11-07 |
| 18-949-k | sodium fluoride + D-Alanine + Water | sodium fluoride + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 18-950-h | sodium fluoride + D-Valine + Water | sodium fluoride + L-Valine + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 18-951-g | sodium fluoride + D-Leucine + Water | sodium fluoride + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 18-970-f | D-Methionine + Hydrochloric acid + Water | L-Methionine + Hydrochloric acid + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 18-971-e | sodium hydroxide + D-Methionine + Water | sodium hydroxide + L-Methionine + Water | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |
| 19-046-a | potassium chloride + D-Glutamic acid + Water | L-Glutamic acid + potassium chloride + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 19-047-k | Potassium nitrate + D-Glutamic acid + Water | L-Glutamic acid + Potassium nitrate + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 19-136-a | D-Alanine + Galactose + Water | Galactose + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 19-138-j | D-Alanine + Water + Potassium sulfate | L-Alanine + Water + Potassium sulfate | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 19-282-j | D-Alanine + D-Mannitol + Water | D-Mannitol + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 19-283-h | D-Mannitol + D-Valine + Water | L-Valine + D-Mannitol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 19-564-f | Carbon dioxide + (-)-Carvone | D-Carvone + Carbon dioxide | Its records belong to D-Carvone, not to (-)-Carvone, once their identity was corrected. | 2026-11-07 |
| 19-621-b | D-Alanine + Water + Tetra-n-butylammonium iodide | L-Alanine + Water + Tetra-n-butylammonium iodide | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 19-622-a | D-Valine + Water + Tetra-n-butylammonium iodide | L-Valine + Water + Tetra-n-butylammonium iodide | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 19-740-k | Undecane + 4,7-Methano-1H-indene, octahydro- | Undecane + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 19-741-j | Tetradecane + 4,7-Methano-1H-indene, octahydro- | (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + Tetradecane | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 19-798-g | D-Serine + Methyl Alcohol | L-Serine + Methyl Alcohol | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-799-f | D-Serine + 1-Butanol | 1-Butanol + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-800-c | D-Serine + Acetonitrile | Acetonitrile + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-801-b | D-Serine + Ethyl Acetate | Ethyl Acetate + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-802-a | D-Serine + Acetone | Acetone + L-Serine | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-803-k | D-Serine + Acetonitrile + Water | Acetonitrile + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-804-j | D-Serine + Methyl Alcohol + Water | L-Serine + Methyl Alcohol + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-805-h | D-Serine + Acetone + Water | Acetone + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 19-829-b | D-Leucine + Water + Potassium sulfate | L-Leucine + Water + Potassium sulfate | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 19-971-d | Tetramethylammonium iodide + D-Alanine + Water | Tetramethylammonium iodide + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 19-972-c | Tetramethylammonium iodide + D-Valine + Water | L-Valine + Tetramethylammonium iodide + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 20-016-b | 2,3-Butanediol, [S-(R*,R*)]- + Water | 2,3-Butanediol, [R-(R*,R*)]- + Water | Its records belong to 2,3-Butanediol, [R-(R*,R*)]-, not to 2,3-Butanediol, [S-(R*,R*)]-, once their identity was corrected. | 2026-11-07 |
| 20-018-k | 2,3-Butanediol, [S-(R*,R*)]- + Dimethyl Sulfoxide + Water | 2,3-Butanediol, [R-(R*,R*)]- + Dimethyl Sulfoxide + Water | Its records belong to 2,3-Butanediol, [R-(R*,R*)]-, not to 2,3-Butanediol, [S-(R*,R*)]-, once their identity was corrected. | 2026-11-07 |
| 20-232-b | Pinonic acid + Water | cis-DL-Pinonic acid + Water | Its records belong to cis-DL-Pinonic acid, not to Pinonic acid, once their identity was corrected. | 2026-11-07 |
| 20-359-b | D-Ribose + D-Leucine + Water | D-Ribose + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 20-360-k | D-Leucine + Maltose + Water | L-Leucine + Maltose + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 20-361-j | D-Raffinose + D-Leucine + Water | D-Raffinose + L-Leucine + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 20-495-a | D-Leucine + Chloramphenicol + Water | L-Leucine + Chloramphenicol + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 21-331-a | sodium chloride + DL-PHENYLALANINE + Water | sodium chloride + L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 21-332-k | DL-PHENYLALANINE + Sodium nitrate + Water | Sodium nitrate + L-Phenylalanine + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 21-333-j | D-Glutamic acid + Sodium nitrate + Water | L-Glutamic acid + Sodium nitrate + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 21-420-b | Adamantane + Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- | Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to Adamantane, once their identity was corrected. | 2026-11-07 |
| 21-625-e | D-Serine + Water + 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | L-Serine + Water + 6-[D-(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 21-838-j | D-Alanine + Pronestyl hydrochloride + Water | L-Alanine + Pronestyl hydrochloride + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 21-839-h | D-Valine + Pronestyl hydrochloride + Water | L-Valine + Pronestyl hydrochloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 21-843-c | 1-Propanol + L-Tryptophan | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 21-845-a | 1,2-Ethanediol + L-Tryptophan | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 21-848-h | L-Tryptophan + 1-Octanol | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 21-849-g | L-Tryptophan + Dimethyl Sulfoxide | not served | Its records are set aside: A mixture of D-tryptophan. | 2026-11-07 |
| 21-872-a | Zinc Chloride + D-Valine + Water | L-Valine + Zinc Chloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 21-873-k | Zinc Chloride + D-Leucine + Water | L-Leucine + Zinc Chloride + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 21-930-f | Carbon dioxide + Ethanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | Carbon dioxide + D-Limonene + Ethanol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 22-106-k | D-Valine + Ethanol | L-Valine + Ethanol | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-107-j | 2-Propanol + D-Valine | L-Valine + 2-Propanol | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-108-h | D-Valine + Formamide, N,N-dimethyl- | L-Valine + Formamide, N,N-dimethyl- | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-109-g | D-Valine + Acetone | L-Valine + Acetone | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-255-e | D-Leucine + Acetic acid, sodium salt + Water | L-Leucine + Acetic acid, sodium salt + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 22-365-c | Nonane + 4,7-Methano-1H-indene, octahydro- | (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + Nonane | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 22-366-b | Dodecane + 4,7-Methano-1H-indene, octahydro- | Dodecane + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 22-367-a | Tridecane + 4,7-Methano-1H-indene, octahydro- | Tridecane + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 22-369-j | D-Alanine + barium chloride + Water | L-Alanine + barium chloride + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 22-370-g | D-Valine + barium chloride + Water | L-Valine + barium chloride + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-588-f | D-Alanine + sodium benzoate + Water | L-Alanine + sodium benzoate + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 22-589-e | D-Valine + sodium benzoate + Water | L-Valine + sodium benzoate + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 22-888-c | D-Glutamic acid + Formic acid | L-Glutamic acid + Formic acid | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-889-b | D-Glutamic acid + Methyl Alcohol | L-Glutamic acid + Methyl Alcohol | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-890-k | 1-Propanol + D-Glutamic acid | L-Glutamic acid + 1-Propanol | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-891-j | 2-Propanol + D-Glutamic acid | L-Glutamic acid + 2-Propanol | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-892-h | Acetonitrile + D-Glutamic acid | L-Glutamic acid + Acetonitrile | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-893-g | D-Glutamic acid + Formic acid + Water | L-Glutamic acid + Formic acid + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-894-f | D-Glutamic acid + Methyl Alcohol + Water | L-Glutamic acid + Methyl Alcohol + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-895-e | 2-Propanol + D-Glutamic acid + Water | L-Glutamic acid + 2-Propanol + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 22-896-d | Acetonitrile + D-Glutamic acid + Water | L-Glutamic acid + Acetonitrile + Water | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 23-124-j | Cyclopentanol + 4,7-Methano-1H-indene, octahydro- | Cyclopentanol + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 23-126-g | Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- + 4,7-Methano-1H-indene, octahydro- | Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 23-127-f | Cyclopentanol + Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- + 4,7-Methano-1H-indene, octahydro- | Cyclopentanol + Tricyclo[3.3.1.13,7]decane, 1,3-dimethyl- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 23-145-f | L-Aspartic acid + Methyl Alcohol | D-Aspartic acid + Methyl Alcohol | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-147-d | 1-Propanol + L-Aspartic acid | 1-Propanol + D-Aspartic acid | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-148-c | 1-Butanol + L-Aspartic acid | D-Aspartic acid + 1-Butanol | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-149-b | 2-Propanol + L-Aspartic acid | 2-Propanol + D-Aspartic acid | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-151-j | Dimethyl Sulfoxide + L-Aspartic acid | D-Aspartic acid + Dimethyl Sulfoxide | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-152-h | Formamide, N,N-dimethyl- + L-Aspartic acid | Formamide, N,N-dimethyl- + D-Aspartic acid | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-153-g | 2-Pyrrolidinone, 1-methyl- + L-Aspartic acid | 2-Pyrrolidinone, 1-methyl- + D-Aspartic acid | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-154-f | 1,2-Ethanediol + L-Aspartic acid | 1,2-Ethanediol + D-Aspartic acid | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-155-e | L-Aspartic acid + 1,4-Dioxane | D-Aspartic acid + 1,4-Dioxane | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-156-d | Acetone + L-Aspartic acid | D-Aspartic acid + Acetone | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-216-g | Potassium nitrate + D-Serine + Water | Potassium nitrate + L-Serine + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 23-347-b | D-Ribose + D-Alanine + Water | D-Ribose + L-Alanine + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 23-364-c | D-Valine + Ethanol + Water | L-Valine + Ethanol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 23-365-b | 2-Propanol + D-Valine + Water | L-Valine + 2-Propanol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 23-366-a | D-Valine + Formamide, N,N-dimethyl- + Water | L-Valine + Formamide, N,N-dimethyl- + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 23-367-k | D-Valine + Acetone + Water | L-Valine + Acetone + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 23-594-h | potassium chloride + L-Aspartic acid + Water | potassium chloride + D-Aspartic acid + Water | Its records belong to D-Aspartic acid, not to L-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 23-876-e | D-Alanine + Formamide, N-methyl- + Water | L-Alanine + Formamide, N-methyl- + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 23-877-d | D-Serine + Formamide, N-methyl- + Water | L-Serine + Formamide, N-methyl- + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 24-000-e | D-Alanine + Fructose + Water | L-Alanine + Fructose + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 24-001-d | D-Alanine + D-cellobiose + Water | L-Alanine + D-cellobiose + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 24-002-c | D-Valine + Fructose + Water | L-Valine + Fructose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 24-003-b | D-Valine + D-cellobiose + Water | L-Valine + D-cellobiose + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 24-004-a | Fructose + D-Leucine + Water | L-Leucine + Fructose + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 24-005-k | D-Leucine + D-cellobiose + Water | L-Leucine + D-cellobiose + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 24-202-a | Cyclohexane, (1-methylethyl)- + 4,7-Methano-1H-indene, octahydro- | Cyclohexane, (1-methylethyl)- + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 24-203-k | Dodecanoic acid, methyl ester + 4,7-Methano-1H-indene, octahydro- | Dodecanoic acid, methyl ester + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 24-205-h | Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester + 4,7-Methano-1H-indene, octahydro- | Cyclohexane, (1-methylethyl)- + Dodecanoic acid, methyl ester + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 24-286-j | 1-Butanol + 4,7-Methano-1H-indene, octahydro- | 1-Butanol + (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 24-287-h | 1-Pentanol + 4,7-Methano-1H-indene, octahydro- | (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene + 1-Pentanol | Its records belong to (3a«alpha»,4«beta»,7«beta»,7a«alpha»)-octahydro-4,7-methano-1H-indene, not to 4,7-Methano-1H-indene, octahydro-, once their identity was corrected. | 2026-11-07 |
| 24-409-b | D-Alanine + Xylitol + Water | L-Alanine + Xylitol + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 24-410-k | D-Valine + Xylitol + Water | L-Valine + Xylitol + Water | Its records belong to L-Valine, not to D-Valine, once their identity was corrected. | 2026-11-07 |
| 24-684-g | Acetonitrile + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Water | Acetonitrile + D-Limonene + Water | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 24-971-h | D-Alanine + sodium sulphate + Water | L-Alanine + sodium sulphate + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 24-972-g | D-Serine + sodium sulphate + Water | L-Serine + sodium sulphate + Water | Its records belong to L-Serine, not to D-Serine, once their identity was corrected. | 2026-11-07 |
| 25-062-f | 2-Propanol, 1-amino-, (R)- + 1-Propanol, 2-amino-2-methyl- | 2-Propanol, 1-amino-, (S)- + 1-Propanol, 2-amino-2-methyl- | Its records belong to 2-Propanol, 1-amino-, (S)-, not to 2-Propanol, 1-amino-, (R)-, once their identity was corrected. | 2026-11-07 |
| 25-063-e | ETHANOL, 2,2'-IMINOBIS- + 2-Propanol, 1-amino-, (R)- | ETHANOL, 2,2'-IMINOBIS- + 2-Propanol, 1-amino-, (S)- | Its records belong to 2-Propanol, 1-amino-, (S)-, not to 2-Propanol, 1-amino-, (R)-, once their identity was corrected. | 2026-11-07 |
| 25-064-d | 2-Propanol, 1-amino-, (R)- + Triethanolamine | Triethanolamine + 2-Propanol, 1-amino-, (S)- | Its records belong to 2-Propanol, 1-amino-, (S)-, not to 2-Propanol, 1-amino-, (R)-, once their identity was corrected. | 2026-11-07 |
| 25-994-b | 2-Pyrrolidinone, 1-methyl- + 2-Propanol, 1-amino-, (R)- | 2-Pyrrolidinone, 1-methyl- + 2-Propanol, 1-amino-, (S)- | Its records belong to 2-Propanol, 1-amino-, (S)-, not to 2-Propanol, 1-amino-, (R)-, once their identity was corrected. | 2026-11-07 |
| 26-141-g | DL-PHENYLALANINE + Acetone | L-Phenylalanine + Acetone | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 26-142-f | DL-PHENYLALANINE + Ethanol | Ethanol + L-Phenylalanine | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 26-143-e | DL-PHENYLALANINE + Acetone + Water | L-Phenylalanine + Acetone + Water | Its records belong to L-Phenylalanine, not to DL-PHENYLALANINE, once their identity was corrected. | 2026-11-07 |
| 26-373-k | Eucalyptol + «beta»-Pinene | Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)- + Eucalyptol | Its records belong to Bicyclo[3.1.1]heptane, 6,6-dimethyl-2-methylene-, (1S)-, not to «beta»-Pinene, once their identity was corrected. | 2026-11-07 |
| 26-404-e | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + Methyl Alcohol + Water | D-Limonene + Methyl Alcohol + Water | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-639-e | D-Alanine + Formamide, N,N-dimethyl- + Water | L-Alanine + Formamide, N,N-dimethyl- + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 26-733-k | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + «alpha»-Pinene | D-Limonene + (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene | Its records belong to D-Limonene, (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, «alpha»-Pinene, once their identity was corrected. | 2026-11-07 |
| 26-757-d | Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- + 1-Hexanol | D-Limonene + 1-Hexanol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-758-c | Ethanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | D-Limonene + Ethanol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-759-b | 1-Propanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | 1-Propanol + D-Limonene | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-760-k | 2-Propanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | 2-Propanol + D-Limonene | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-761-j | 1-Butanol + Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)- | D-Limonene + 1-Butanol | Its records belong to D-Limonene, not to Cyclohexene, 1-methyl-4-(1-methylethenyl)-, (S)-, once their identity was corrected. | 2026-11-07 |
| 26-907-g | 2,3-Butanediol, [S-(R*,R*)]- + 2-Pentanol, 4-methyl- + Water | 2,3-Butanediol, [R-(R*,R*)]- + 2-Pentanol, 4-methyl- + Water | Its records belong to 2,3-Butanediol, [R-(R*,R*)]-, not to 2,3-Butanediol, [S-(R*,R*)]-, once their identity was corrected. | 2026-11-07 |
| 27-093-k | D-Alanine + Ethanol + Water | L-Alanine + Ethanol + Water | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 27-094-j | Ethanol + D-Aspartic acid + Water | Ethanol + L-Aspartic acid + Water | Its records belong to L-Aspartic acid, not to D-Aspartic acid, once their identity was corrected. | 2026-11-07 |
| 27-096-g | Ethanol + D-Leucine + Water | L-Leucine + Ethanol + Water | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 27-099-d | D-Alanine + Ethanol | L-Alanine + Ethanol | Its records belong to L-Alanine, not to D-Alanine, once their identity was corrected. | 2026-11-07 |
| 27-102-j | D-Glutamic acid + Ethanol | L-Glutamic acid + Ethanol | Its records belong to L-Glutamic acid, not to D-Glutamic acid, once their identity was corrected. | 2026-11-07 |
| 27-104-g | Ethanol + D-Leucine | L-Leucine + Ethanol | Its records belong to L-Leucine, not to D-Leucine, once their identity was corrected. | 2026-11-07 |
| 27-106-e | Ethanol + D-Methionine | L-Methionine + Ethanol | Its records belong to L-Methionine, not to D-Methionine, once their identity was corrected. | 2026-11-07 |