4-Glucogallic acid

Properties Image MNX_ID MNXM117899 reference chebi:192296 formula C13H16O10 global charge 0 mol weight 332.261 InChIKey YPSNWSNUXIIKHO-YANYRWCTSA-N InChI InChI=1S/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1 SMILES O=C(O)C1=CC(O)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(O)=C1 MNX internals InChI (mnx) InChI=1/C13H16O10/c14-3-7-8(17)9(18)10(19)13(22-7)23-11-5(15)1-4(12(20)21)2-6(11)16/h1-2,7-10,13-19H,3H2,(H,20,21)/t7-,8-,9+,10-,13+/m1/s1 SMILES (mnx) [CH:1]1=[C:4]([C:12](=[O:20])[OH:21])[CH:2]=[C:6]([OH:16])[C:11]([O:23][C@H:13]2[C@H:10]([OH:19])[C@@H:9]([OH:18])[C@H:8]([OH:17])[C@@H:7]([CH2:3][OH:14])[O:22]2)=[C:5]1[OH:15]

Parent-child relations graph

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