3-(4-hydroxybenzyl)-malate

Properties Image MNX_ID MNXM147764 reference metacycM:CPD-17727 formula C11H10O6 global charge -2 mol weight 238.195 InChIKey HEBRDBXKSZUFPH-DTWKUNHWSA-L InChI InChI=1S/C11H12O6/c12-7-3-1-6(2-4-7)5-8(10(14)15)9(13)11(16)17/h1-4,8-9,12-13H,5H2,(H,14,15)(H,16,17)/p-2/t8-,9+/m0/s1 SMILES O=C([O-])[C@@H](CC1=CC=C(O)C=C1)[C@@H](O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H12O6/c12-7-3-1-6(2-4-7)5-8(10(14)15)9(13)11(16)17/h1-4,8-9,12-13H,5H2,(H,14,15)(H,16,17)/t8-,9+/m0/s1 SMILES (mnx) [CH:1]1=[CH:3][C:7]([OH:12])=[CH:4][CH:2]=[C:6]1[CH2:5][C@@H:8]([C@H:9]([C:11](=[O:16])[OH:17])[OH:13])[C:10](=[O:14])[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0