bmse000262 3-(4-Hydroxyphenyl)pyruvate at BMRB

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3-(4-Hydroxyphenyl)pyruvate

Benzenepropanoic acid, 4-hydroxy-alpha-oxo- (9CI); 3-(4-Hydroxyphenyl)pyruvic acid; 4-Hydroxyphenylpyruvic acid; Testacid; Pyruvic acid, p-hydroxyphenyl-; 4-Hydroxy alpha-oxobenzenepropanoic acid; 3-(p-Hydroxyphenyl)pyruvic acid; 3-(4-Hydroxyphenyl)pyruvate; p-Hydroxyphenylpyruvic acid; 4-Hydroxyphenylpyruvate; Testacide

Molecular Formula: C9 H8 O4
Natural Isotopic Abundance Mass: 180.1574200000
Mono-Isotopic Molecular Masses: C12N14: 180.042258745; C13N14: 189.072452285; C12N15: 180.042258745; C13N15: 189.072452285

3-(4-Hydroxyphenyl)pyruvate

InCHi String:
InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)

canonical SMILES:
C1=CC(=CC=C1CC(=O)C(=O)O)O

IUPAC: IUPAC traditional: IUPAC openeye: IUPAC cas: IUPAC systematic
3-(4-hydroxyphenyl)-2-oxo-propanoic acid

PubChem Substance (SID):   85165068   152264   4406
PubChem Compound (CID):   979
KEGG: Compound ID   C01179
CAS Registry IDs:   156-39-8
PDB Chemical Component   ENO
Miscellaneous Databases and IDs:   ChemIDplus 000156398   EINECS 205-852-9   Beilstein Handbook Reference 4-10-00-03630

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.