3-isopropylgentisate

Properties Image MNX_ID MNXM36573 reference metacycM:CPD-11247 formula C10H11O4 global charge -1 mol weight 195.194 InChIKey FHPCGYNCGHQRJE-UHFFFAOYSA-M InChI InChI=1S/C10H12O4/c1-5(2)7-3-6(11)4-8(9(7)12)10(13)14/h3-5,11-12H,1-2H3,(H,13,14)/p-1 SMILES CC(C)C1=CC(O)=CC(C(=O)[O-])=C1O MNX internals InChI (mnx) InChI=1/C10H12O4/c1-5(2)7-3-6(11)4-8(9(7)12)10(13)14/h3-5,11-12H,1-2H3,(H,13,14) SMILES (mnx) [CH3:1][CH:5]([CH3:2])[C:7]1=[C:9]([OH:12])[C:8]([C:10](=[O:13])[OH:14])=[CH:4][C:6]([OH:11])=[CH:3]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0