Marvin 02261312242D 29 32 0 0 1 0 999 V2000 9.6641 -5.7853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9495 -5.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9495 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6641 -4.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5043 -4.1453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 -4.5576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2189 -5.3730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0540 -6.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9546 -6.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3696 -4.5576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5043 -5.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3696 -5.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7897 -4.5576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0842 -5.7853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7897 -5.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3696 -6.2874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8910 -6.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0866 -6.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8160 -7.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3594 -7.0486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5508 -6.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7970 -3.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3715 -3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0808 -6.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2923 -6.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2943 -7.1655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2351 -5.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6580 -3.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0869 -3.3400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13 10 1 0 0 0 0 12 10 1 0 0 0 0 1 12 1 0 0 0 0 14 12 1 0 0 0 0 12 16 1 1 0 0 0 3 4 1 0 0 0 0 2 1 1 0 0 0 0 2 3 1 0 0 0 0 5 13 1 0 0 0 0 15 13 1 0 0 0 0 15 14 1 0 0 0 0 15 11 1 6 0 0 0 15 9 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 7 11 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 1 17 1 1 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 14 18 1 1 0 0 0 21 8 2 0 0 0 0 13 22 1 1 0 0 0 10 23 1 6 0 0 0 4 10 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 2 27 1 1 0 0 0 23 28 1 0 0 0 0 23 29 2 0 0 0 0 M END > CHEBI:72598 > gibberellin A13 > A C20-gibberellin that is gibberellin A12 in which the 4a-methyl group is oxidised to the corresponding carboxylic acid and a hydroxy substituent is present at the 2β-position. > 3 > GA13 > (1S,2S,4aR,4bR,7R,9aR,10S,10aS)-2-hydroxy-1-methyl-8-methylenedodecahydro-4aH-7,9a-methanobenzo[a]azulene-1,4a,10-tricarboxylic acid; (1alpha,2beta,4aalpha,4bbeta,10beta)-2-hydroxy-1-methyl-8-methylenegibbane-1,4a,10-tricarboxylic acid > C20H26O7 > 378.41620 > 378.16785 > 0 > [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@]1([H])[C@@](C)([C@@H](O)CC[C@@]21C(O)=O)C(O)=O > InChI=1S/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11-,12+,13-,14-,18-,19+,20-/m1/s1 > UYRCHWLYXIQJKK-HMRRIYTKSA-N > 3040724 > CPD-6221 > 14298462 $$$$