Gibberellin A29-catabolite

Properties Image MNX_ID MNXM8624 reference chebi:29592 formula C19H22O6 global charge 0 mol weight 346.379 InChIKey CFYSKMXAQIWPNE-SBECISRQSA-N InChI InChI=1S/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1 SMILES C=C1C[C@]23C[C@@]1(O)CC[C@H]2C1=CC(=O)C[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O MNX internals InChI (mnx) InChI=1/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t12-,13+,14+,17+,18-,19-/m0/s1 SMILES (mnx) [CH2:1]=[C:9]1[CH2:6][C@:18]23[CH2:8][C@@:19]1([OH:25])[CH2:4][CH2:3][C@H:12]2[C:11]1=[CH:5][C:10](=[O:20])[CH2:7][C@@:17]([CH3:2])([C:16](=[O:23])[OH:24])[C@H:13]1[C@@H:14]3[C:15](=[O:21])[OH:22]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0