3-methylgentisate

Properties Image MNX_ID MNXM36650 reference metacycM:CPD-11245 formula C8H7O4 global charge -1 mol weight 167.14 InChIKey ZBVPYEQOYJWSJW-UHFFFAOYSA-M InChI InChI=1S/C8H8O4/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,9-10H,1H3,(H,11,12)/p-1 SMILES CC1=CC(O)=CC(C(=O)[O-])=C1O MNX internals InChI (mnx) InChI=1/C8H8O4/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3,9-10H,1H3,(H,11,12) SMILES (mnx) [CH3:1][C:4]1=[CH:2][C:5]([OH:9])=[CH:3][C:6]([C:8](=[O:11])[OH:12])=[C:7]1[OH:10]

Parent-child relations graph

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