3-(2-O-beta-D-glucosylphenyl)propanoic acid

Properties Image MNX_ID MNXM124929 reference chebi:149603 formula C15H20O8 global charge 0 mol weight 328.317 InChIKey FXEOLMWSBWXMSF-TVKJYDDYSA-N InChI InChI=1S/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1 SMILES O=C(O)CCC1=CC=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C15H20O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-4,10,12-16,19-21H,5-7H2,(H,17,18)/t10-,12-,13+,14-,15-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:9]([O:22][C@H:15]2[C@H:14]([OH:21])[C@@H:13]([OH:20])[C@H:12]([OH:19])[C@@H:10]([CH2:7][OH:16])[O:23]2)[C:8]([CH2:5][CH2:6][C:11](=[O:17])[OH:18])=[CH:3]1

Parent-child relations graph

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