1-salicylate glucuronide

Properties Image MNX_ID MNXM33000 reference chebi:73961 formula C13H14O9 global charge 0 mol weight 314.246 InChIKey JSCWDKKMLIQCMR-CDHFTJPESA-N InChI InChI=1S/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1 SMILES O=C(O)C1=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)C=CC=C1 MNX internals InChI (mnx) InChI=1/C13H14O9/c14-7-8(15)10(12(19)20)22-13(9(7)16)21-6-4-2-1-3-5(6)11(17)18/h1-4,7-10,13-16H,(H,17,18)(H,19,20)/t7-,8-,9+,10-,13+/m0/s1 SMILES (mnx) [CH:1]1=[CH:2][CH:4]=[C:6]([O:21][C@H:13]2[C@H:9]([OH:16])[C@@H:7]([OH:14])[C@H:8]([OH:15])[C@@H:10]([C:12](=[O:19])[OH:20])[O:22]2)[C:5]([C:11](=[O:17])[OH:18])=[CH:3]1

Parent-child relations graph

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