Gibberellin A34-catabolite

Properties Image MNX_ID MNXM8625 reference chebi:29594 formula C19H22O6 global charge 0 mol weight 346.379 InChIKey ZHUFJGRQVHLFRM-ONBGMUNTSA-N InChI InChI=1S/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t9-,11+,13-,14-,15+,18+,19+/m1/s1 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2C1=CC(=O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O MNX internals InChI (mnx) InChI=1/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)/t9-,11+,13-,14-,15+,18+,19+/m1/s1 SMILES (mnx) [CH2:1]=[C:8]1[CH2:6][C@:19]23[CH2:7][C@H:9]1[CH2:3][CH2:4][C@H:11]2[C:10]1=[CH:5][C:12](=[O:20])[C@H:15]([OH:21])[C@@:18]([CH3:2])([C:17](=[O:24])[OH:25])[C@H:13]1[C@@H:14]3[C:16](=[O:22])[OH:23]

Parent-child relations graph

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