vanillyl beta-D-glucopyranoside

Properties Image MNX_ID MNXM162072 reference chebi:86958 formula C14H20O8 global charge 0 mol weight 316.306 InChIKey XNUBWLDOGBNCKT-RKQHYHRCSA-N InChI InChI=1S/C14H20O8/c1-20-9-4-7(2-3-8(9)16)6-21-14-13(19)12(18)11(17)10(5-15)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1 SMILES COC1=C(O)C=CC(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C14H20O8/c1-20-9-4-7(2-3-8(9)16)6-21-14-13(19)12(18)11(17)10(5-15)22-14/h2-4,10-19H,5-6H2,1H3/t10-,11-,12+,13-,14-/m1/s1 SMILES (mnx) [CH3:1][O:20][C:9]1=[C:8]([OH:16])[CH:3]=[CH:2][C:7]([CH2:6][O:21][C@H:14]2[C@H:13]([OH:19])[C@@H:12]([OH:18])[C@H:11]([OH:17])[C@@H:10]([CH2:5][OH:15])[O:22]2)=[CH:4]1

Parent-child relations graph

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