2,5-dihydroxybenzoic acid 5-O-beta-D-glucoside

Properties Image MNX_ID MNXM14143 reference chebi:136772 formula C13H16O9 global charge 0 mol weight 316.262 InChIKey CBTFERBMQQAROP-BZNQNGANSA-N InChI InChI=1S/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 SMILES O=C(O)C1=C(O)C=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C13H16O9/c14-4-8-9(16)10(17)11(18)13(22-8)21-5-1-2-7(15)6(3-5)12(19)20/h1-3,8-11,13-18H,4H2,(H,19,20)/t8-,9-,10+,11-,13-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:15])=[C:6]([C:12](=[O:19])[OH:20])[CH:3]=[C:5]1[O:21][C@H:13]1[C@H:11]([OH:18])[C@@H:10]([OH:17])[C@H:9]([OH:16])[C@@H:8]([CH2:4][OH:14])[O:22]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0