4-(beta-D-glucosyloxy)benzoate

Properties Image MNX_ID MNXM3859 reference chebi:11935 formula C13H15O8 global charge -1 mol weight 299.255 InChIKey XSSDYIMYZONMBL-BZNQNGANSA-M InChI InChI=1S/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/p-1/t8-,9-,10+,11-,13-/m1/s1 SMILES O=C([O-])C1=CC=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C1 MNX internals InChI (mnx) InChI=1/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)/t8-,9-,10+,11-,13-/m1/s1 SMILES (mnx) [CH:1]1=[CH:3][C:7]([O:20][C@H:13]2[C@H:11]([OH:17])[C@@H:10]([OH:16])[C@H:9]([OH:15])[C@@H:8]([CH2:5][OH:14])[O:21]2)=[CH:4][CH:2]=[C:6]1[C:12]([OH:18])=[O:19]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0