gentisate 5-O-beta-D-xylopyranoside

Properties Image MNX_ID MNXM525844 reference metacycM:CPD-19191 formula C12H13O8 global charge -1 mol weight 285.228 InChIKey OGFQCMFLQIYVSQ-DTHBNOIPSA-M InChI InChI=1S/C12H14O8/c13-7-2-1-5(3-6(7)11(17)18)20-12-10(16)9(15)8(14)4-19-12/h1-3,8-10,12-16H,4H2,(H,17,18)/p-1/t8-,9+,10-,12-/m1/s1 SMILES O=C([O-])C1=C(O)C=CC(O[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)=C1 MNX internals InChI (mnx) InChI=1/C12H14O8/c13-7-2-1-5(3-6(7)11(17)18)20-12-10(16)9(15)8(14)4-19-12/h1-3,8-10,12-16H,4H2,(H,17,18)/t8-,9+,10-,12-/m1/s1 SMILES (mnx) [CH:1]1=[CH:2][C:7]([OH:13])=[C:6]([C:11](=[O:17])[OH:18])[CH:3]=[C:5]1[O:20][C@@H:12]1[C@H:10]([OH:16])[C@@H:9]([OH:15])[C@H:8]([OH:14])[CH2:4][O:19]1

Parent-child relations graph

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