Homovanillyl alcohol glucuronide

Properties Image MNX_ID MNXM1130020 reference hmdb:HMDB0240527 formula C15H20O9 global charge 0 mol weight 344.316 InChIKey FPHRLHBSOJUFOE-DKBOKBLXSA-N InChI InChI=1S/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1 SMILES COC1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=CC(CCO)=C1 MNX internals InChI (mnx) InChI=1/C15H20O9/c1-22-9-6-7(4-5-16)2-3-8(9)23-15-12(19)10(17)11(18)13(24-15)14(20)21/h2-3,6,10-13,15-19H,4-5H2,1H3,(H,20,21)/t10-,11-,12+,13-,15+/m0/s1 SMILES (mnx) [CH3:1][O:22][C:9]1=[C:8]([O:23][C@H:15]2[C@H:12]([OH:19])[C@@H:10]([OH:17])[C@H:11]([OH:18])[C@@H:13]([C:14](=[O:20])[OH:21])[O:24]2)[CH:3]=[CH:2][C:7]([CH2:4][CH2:5][OH:16])=[CH:6]1

Parent-child relations graph

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