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:
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
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