vanillylmandelate

Properties Image MNX_ID MNXM1371259 reference metacycM:VANILLYL_MANDELATE formula C9H9O5 global charge -1 mol weight 197.166 InChIKey CGQCWMIAEPEHNQ-MRVPVSSYSA-M InChI InChI=1S/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/p-1/t8-/m1/s1 SMILES COC1=CC([C@@H](O)C(=O)[O-])=CC=C1O MNX internals InChI (mnx) InChI=1/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)/t8-/m1/s1 SMILES (mnx) [CH3:1][O:14][C:7]1=[C:6]([OH:10])[CH:3]=[CH:2][C:5]([C@H:8]([C:9](=[O:12])[OH:13])[OH:11])=[CH:4]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0