(-)-Jasmonic acid - (S)-Ala conjugate, methyl ester Chemeo Renderer - https://www.chemeo.com More info - https://www.chemeo.com/cid/56-754-3 21 21 0 0 0 0 0 0 0 0999 V2000 4.9850 -4.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8828 -3.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2127 -2.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1105 -1.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4405 0.4584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3383 1.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5135 2.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8217 3.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 3.5926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1334 2.4903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8673 1.1821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 -0.1805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2533 -0.3189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 0.9054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 -1.6816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3739 -1.8199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0009 -3.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2405 -0.5956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7341 -0.7339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6135 0.7671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 1.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 11 6 1 0 M END