3,4-dihydroxyphenylacetate

Chemical Formula:

C₈H₇O₄

Molecular Weight:

167.141 Daltons

Monoisotopic Mass:

168.0422587452 Daltons

SMILES:

C([O-])(=O)CC1(C=CC(=C(C=1)O)O)

InChI:

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

InChIKey:

CFFZDZCDUFSOFZ-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-782

RefMet: 3,4-Dihydroxybenzeneacetic acid

MetaboLights: MTBLC17612

HMDB: HMDB01336

ChemSpider: 4573910

PubChem (CID): 5460350 547

ChEBI: 17612 41941

KEGG: C01161

MediaDB: compounds/1062/

Seed: cpd00854

MetaNetX: MNXM645

CAS: 102-32-9

NIKKAJI: J804D

3DMET: B00250

PDB-CCD: DHY

KNApSAcK: C00040996

CHEMBL: CHEMBL1284

PupChem (SID): 4388