101940971 CDK 0602212312 28 31 0 0 0 0 0 0 0 0999 V2000 3.4955 2.7781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5414 -0.9261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5521 -1.9572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1735 -2.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6023 -2.7143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2659 0.2275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5227 0.5855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9575 -0.0087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3467 -0.7306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1538 -0.5848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1778 1.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0092 0.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6784 2.0349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3391 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9095 -1.4645 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1040 0.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8534 2.0349 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1928 1.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0555 -1.4463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7491 -1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6166 -1.8894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8951 -2.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9972 1.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 0.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7462 -1.3070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8345 2.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 2 22 1 0 0 0 0 3 22 2 0 0 0 0 4 24 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 6 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 1 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 8 19 1 6 0 0 0 9 10 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 1 0 0 0 10 22 1 1 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 6 0 0 0 14 17 1 0 0 0 0 15 20 1 0 0 0 0 15 23 1 1 0 0 0 15 24 1 0 0 0 0 16 21 1 0 0 0 0 18 25 2 0 0 0 0 20 21 1 0 0 0 0 M END > CHEBI:175439 > Gibberellin A112 > 2 > (1R,2S,3S,4R,8S,9S,11R,12R)-11-hydroxy-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid > C20H28O5 > 348.439 > 348.19367 > 0 > O[C@H]1[C@@]2(C[C@]3([C@]([C@]4([C@]([C@@H]3C(O)=O)([C@](CCC4)(C)C(O)=O)[H])C)(C1)[H])CC2=C)[H] > InChI=1S/C20H28O5/c1-10-8-20-9-11(10)12(21)7-13(20)18(2)5-4-6-19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12-,13+,14-,15+,18+,19-,20+/m1/s1 > RVQCZHZIMZMGAD-MDZZOIHRSA-N $$$$