3-bromogentisate

Properties Image MNX_ID MNXM36347 reference metacycM:CPD-11246 formula C7H4BrO4 global charge -1 mol weight 232.009 InChIKey WTYVTVJKIOALFD-UHFFFAOYSA-M InChI InChI=1S/C7H5BrO4/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,9-10H,(H,11,12)/p-1 SMILES O=C([O-])C1=C(O)C(Br)=CC(O)=C1 MNX internals InChI (mnx) InChI=1/C7H5BrO4/c8-5-2-3(9)1-4(6(5)10)7(11)12/h1-2,9-10H,(H,11,12) SMILES (mnx) [CH:1]1=[C:3]([OH:9])[CH:2]=[C:5]([Br:8])[C:6]([OH:10])=[C:4]1[C:7](=[O:11])[OH:12]

Parent-child relations graph

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