gentisate

Chemical Formula:

C₇H₅O₄

Molecular Weight:

153.114 Daltons

Monoisotopic Mass:

154.026608681 Daltons

SMILES:

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

InChI:

1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)/p-1

InChIKey:

WXTMDXOMEHJXQO-UHFFFAOYSA-M

Synonyms

gentisic acid
hydroquinonecarboxylic acid
2,5-dihydroxybenzoate
2,5-DHBA
2,5-dihydroxybenzoic acid
2,5-dioxybenzoic acid
3,6-dihydroxybenzoic acid
5-hydroxysalicylic acid
5-hydroxysalicylate

Databases

MetaCyc: CPD-633

RefMet: Gentisic acid

MetaboLights: MTBLC58044

HMDB: HMDB00152

ChemSpider: 144318

PubChem (CID): 54675839 3469

ChEBI: 58044 17189

KEGG: C00628

CAS: 490-79-9

Seed: cpd00479

MetaNetX: MNXM850

PupChem (SID): 3901

CHEMBL: CHEMBL1461

KNApSAcK: C00002648

PDB-CCD: GTQ

3DMET: B00149

NIKKAJI: J6.046A