5-chloroprotocatechuate

Properties Image MNX_ID MNXM8168 reference metacycM:CPD-11222 formula C7H4ClO4 global charge -1 mol weight 187.558 InChIKey GGUNECQLDCNDDY-UHFFFAOYSA-M InChI InChI=1S/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)/p-1 SMILES O=C([O-])C1=CC(O)=C(O)C(Cl)=C1 MNX internals InChI (mnx) InChI=1/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12) SMILES (mnx) [CH:1]1=[C:3]([C:7](=[O:11])[OH:12])[CH:2]=[C:5]([OH:9])[C:6]([OH:10])=[C:4]1[Cl:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0