hippurate

Chemical Formula:

C₉H₈NO₃

Molecular Weight:

178.167 Daltons

Monoisotopic Mass:

179.0582431604 Daltons

SMILES:

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

InChI:

1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)/p-1

InChIKey:

QIAFMBKCNZACKA-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-425

RefMet: Hippuric acid

MetaboLights: MTBLC606565

HMDB: HMDB00714

ChemSpider: 3603822

ChEBI: 606565

PubChem (CID): 4402710 464

KEGG: C01586

Reactome: 159564

MetaNetX: MNXM1577

CAS: 495-69-2