homogentisate

Chemical Formula:

C₈H₇O₄

Molecular Weight:

167.141 Daltons

Monoisotopic Mass:

168.0422587452 Daltons

SMILES:

C1(C(=CC(=C(C=1)O)CC([O-])=O)O)

InChI:

1S/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)/p-1

InChIKey:

IGMNYECMUMZDDF-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: HOMOGENTISATE

RefMet: Homogentisic acid

MetaboLights: MTBLC16169

HMDB: HMDB00130

ChemSpider: 4573931

PubChem (CID): 5460389 780

ChEBI: 16169 44747

KEGG: C00544

Reactome: 30337

Seed: cpd00426

MetaNetX: MNXM345

PupChem (SID): 3825

KNApSAcK: C00007309

PDB-CCD: OMD

3DMET: B00126

NIKKAJI: J5.750I