Ketcher 08291819032D 1 1.00000 0.00000 0 27 31 0 1 0 999 V2000 19.5770 -62.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7492 -62.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7492 -61.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5770 -60.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -60.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6945 -61.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6945 -62.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5034 -63.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2300 -63.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3941 -61.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8667 -62.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3941 -62.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0389 -61.3322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2219 -62.7543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0389 -62.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3941 -63.3357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9010 -62.7167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5800 -63.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2246 -63.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4585 -64.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3824 -64.2176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0789 -63.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0474 -60.4256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3964 -60.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0203 -61.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9881 -61.8819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2659 -64.3684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 10 1 0 0 0 12 10 1 0 0 0 1 12 1 0 0 0 14 12 1 0 0 0 12 16 1 1 0 0 3 4 2 0 0 0 2 1 1 0 0 0 2 3 1 0 0 0 5 13 1 0 0 0 15 13 1 0 0 0 15 14 1 0 0 0 15 11 1 6 0 0 15 9 1 1 0 0 6 5 1 0 0 0 7 6 1 0 0 0 7 11 1 6 0 0 7 8 1 0 0 0 8 9 1 0 0 0 2 17 1 1 0 0 1 18 1 0 0 0 20 19 2 0 0 0 21 19 1 0 0 0 14 19 1 1 0 0 22 8 2 0 0 0 13 23 1 1 0 0 10 24 1 6 0 0 1 25 1 6 0 0 26 25 2 0 0 0 25 24 1 0 0 0 4 10 1 0 0 0 9 27 1 1 0 0 M END > CHEBI:142006 > gibberellin A68 > A C19-gibberellin, initially identified in Malus sylvestris. It differs from gibberellin A1 in the absence of an OH group at C-7 and the presence of a double bond between C-3 and C-4 (all gibbane numbering). > 3 > ent-3alpha,10beta,15alpha-trihydroxy-20-norgibberella-1,16-diene-7,19-dioic acid 19,10-lactone; (1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid > 2beta,9beta-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid; (1S,2S,4aR,4bR,7R,9R,9aR,10S,10aR)-2,9-dihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid > C19H22O6 > 346.375 > 346.14164 > 0 > [C@]12([C@@]3([C@@]([C@@]4(CC[C@@H]5C[C@@]4([C@H]3C(=O)O)[C@@H](C5=C)O)[H])(OC1=O)C=C[C@@H]2O)[H])C > InChI=1S/C19H22O6/c1-8-9-3-4-10-18(7-9,14(8)21)12(15(22)23)13-17(2)11(20)5-6-19(10,13)25-16(17)24/h5-6,9-14,20-21H,1,3-4,7H2,2H3,(H,22,23)/t9-,10-,11+,12-,13-,14-,17-,18-,19-/m1/s1 > ZKSDYVWXHSIQFM-ZUJRJSPDSA-N > 24232845 $$$$