gibberellin A28

Properties Image MNX_ID MNXM11671 reference chebi:24241 formula C20H26O8 global charge 0 mol weight 394.42 InChIKey YPZCOEDTKIYBEB-ZVBXRXONSA-N InChI InChI=1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,17-,18+,19+,20-/m1/s1 SMILES C=C1C[C@]23C[C@@]1(O)CC[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/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,12-,13-,17-,18+,19+,20-/m1/s1 SMILES (mnx) [CH2:1]=[C:9]1[CH2:7][C@:18]23[CH2:8][C@@:19]1([OH:28])[CH2:5][CH2:3][C@H:10]2[C@:20]1([C:16](=[O:26])[OH:27])[CH2:6][CH2:4][C@H:11]([OH:21])[C@@:17]([CH3:2])([C:15](=[O:24])[OH:25])[C@H:13]1[C@@H:12]3[C:14](=[O:22])[OH:23]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0