gibberellin A25

Properties Image MNX_ID MNXM8623 reference chebi:143959 formula C20H23O6 global charge -3 mol weight 359.398 InChIKey XOUJCIPAKFLTCI-POPXMCHDSA-K InChI InChI=1S/C20H26O6/c1-10-8-19-9-11(10)4-5-12(19)20(17(25)26)7-3-6-18(2,16(23)24)14(20)13(19)15(21)22/h11-14H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/p-3/t11-,12-,13-,14-,18-,19+,20-/m1/s1 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)[O-])CCC[C@@](C)(C(=O)[O-])[C@H]1[C@@H]3C(=O)[O-] MNX internals InChI (mnx) InChI=1/C20H26O6/c1-10-8-19-9-11(10)4-5-12(19)20(17(25)26)7-3-6-18(2,16(23)24)14(20)13(19)15(21)22/h11-14H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,14-,18-,19+,20-/m1/s1 SMILES (mnx) [CH2:1]=[C:10]1[CH2:8][C@:19]23[CH2:9][C@H:11]1[CH2:4][CH2:5][C@H:12]2[C@:20]1([C:17](=[O:25])[OH:26])[CH2:7][CH2:3][CH2:6][C@@:18]([CH3:2])([C:16](=[O:23])[OH:24])[C@H:14]1[C@@H:13]3[C:15](=[O:21])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 1