101717694 CDK 0602212313 29 32 0 0 0 0 0 0 0 0999 V2000 4.9541 2.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5875 2.8836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6334 -0.8206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 0.3856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6441 -1.8517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2655 -2.5839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -2.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 0.3330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6147 0.6909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0495 0.0967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4387 -0.6252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2458 -0.4794 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2698 1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7705 2.1402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1013 0.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 -1.3591 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1960 0.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9455 2.1402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2848 1.4952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1475 -1.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -0.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4331 0.6452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8411 -1.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7086 -1.7841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9871 -2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0892 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9829 0.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8382 -1.2015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 6 0 0 0 19 2 1 6 0 0 0 3 24 1 0 0 0 0 4 23 2 0 0 0 0 5 24 2 0 0 0 0 6 26 1 0 0 0 0 7 26 2 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 6 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 16 1 0 0 0 0 9 28 1 1 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 10 23 1 6 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 1 0 0 0 12 24 1 1 0 0 0 13 14 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 20 1 0 0 0 0 16 19 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 1 0 0 0 17 26 1 0 0 0 0 18 22 1 0 0 0 0 20 27 2 0 0 0 0 21 22 1 0 0 0 0 M END > CHEBI:175854 > Gibberellin A125 > 2 > (1S,2S,3S,4R,8R,9R,11S,12S)-8-ormyl-11,12-dihydroxy-4-methyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylic acid > C20H26O7 > 378.421 > 378.16785 > 0 > O[C@]12C[C@]3([C@]([C@]4([C@]([C@@H]3C(O)=O)([C@](CCC4)(C)C(O)=O)[H])C=O)(C[C@@H]1O)[H])CC2=C > InChI=1S/C20H26O7/c1-10-7-19-8-20(10,27)12(22)6-11(19)18(9-21)5-3-4-17(2,16(25)26)14(18)13(19)15(23)24/h9,11-14,22,27H,1,3-8H2,2H3,(H,23,24)(H,25,26)/t11-,12-,13+,14+,17+,18+,19-,20-/m0/s1 > RYEQDBJAVSWVOI-ARCJWRNYSA-N $$$$