Gibberellin A94

Properties Image MNX_ID MNXM126042 reference hmdb:HMDB0031365 formula C19H22O6 global charge 0 mol weight 346.379 InChIKey GKOVHAGMHIIKFS-SHOGPGQVSA-N InChI InChI=1S/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22)/t8-,9-,10-,11+,12-,13-,14+,17+,18+,19-/m1/s1 SMILES C=C1C[C@]23C[C@H]1CC[C@H]2[C@@]12OC(=O)[C@@](C)([C@H]1[C@@H]3C(=O)O)[C@H]1O[C@H]1[C@H]2O MNX internals InChI (mnx) InChI=1/C19H22O6/c1-7-5-18-6-8(7)3-4-9(18)19-12(10(18)15(21)22)17(2,16(23)25-19)14-11(24-14)13(19)20/h8-14,20H,1,3-6H2,2H3,(H,21,22)/t8-,9-,10-,11+,12-,13-,14+,17+,18+,19-/m1/s1 SMILES (mnx) [CH2:1]=[C:7]1[CH2:5][C@:18]23[CH2:6][C@H:8]1[CH2:3][CH2:4][C@H:9]2[C@@:19]12[C@H:12]([C@@H:10]3[C:15](=[O:21])[OH:22])[C@@:17]([CH3:2])([C@@H:14]3[C@H:11]([C@H:13]1[OH:20])[O:24]3)[C:16](=[O:23])[O:25]2

Parent-child relations graph

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