2-Phenylethanol glucuronide

Properties Image MNX_ID MNXM35422 reference chebi:167579 formula C14H18O7 global charge 0 mol weight 298.291 InChIKey HIXLLXLCNONZRH-BYNIDDHOSA-N InChI InChI=1S/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1 SMILES O=C(O)[C@H]1O[C@@H](OCCC2=CC=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O MNX internals InChI (mnx) InChI=1/C14H18O7/c15-9-10(16)12(13(18)19)21-14(11(9)17)20-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-17H,6-7H2,(H,18,19)/t9-,10-,11+,12-,14+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:8]([CH2:6][CH2:7][O:20][C@H:14]2[C@H:11]([OH:17])[C@@H:9]([OH:15])[C@H:10]([OH:16])[C@@H:12]([C:13](=[O:18])[OH:19])[O:21]2)[CH:5]=[CH:3]1

Parent-child relations graph

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