gibberellin A13

Properties Image MNX_ID MNXM11613 reference chebi:72598 formula C20H26O7 global charge 0 mol weight 378.421 InChIKey UYRCHWLYXIQJKK-HMRRIYTKSA-N InChI 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 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O MNX internals InChI (mnx) InChI=1/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 SMILES (mnx) [CH2:1]=[C:9]1[CH2:7][C@:19]23[CH2:8][C@H:10]1[CH2:3][CH2:4][C@H:11]2[C@:20]1([C:17](=[O:26])[OH:27])[CH2:6][CH2:5][C@H:12]([OH:21])[C@@:18]([CH3:2])([C:16](=[O:24])[OH:25])[C@H:14]1[C@@H:13]3[C:15](=[O:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0