ChEBI


 12 12  0  0  0  0  0  0  0  0  1 V2000
    9.6465  -12.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6302  -14.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2952  -13.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6252  -13.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2902  -14.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2902  -12.5295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629  -11.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7979   -9.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929  -11.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4629   -8.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4579   -9.9859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929   -8.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  1  3  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  2  0  0  0  0
 10  8  2  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 11 12  2  0  0  0  0
  1  9  1  4  0  0  0
M  END
> <ID>
CHEBI:32815

> <NAME>
enol-phenylpyruvic acid

> <DEFINITION>
A 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10548; CHEBI:23914; CHEBI:23915

> <SYNONYM>
enol-Phenylpyruvic acid; enol-Phenylpyruvate; enol-alpha-Ketohydrocinnamic acid; 2-hydroxy-3-phenylacrylic acid

> <IUPAC_NAME>
2-hydroxy-3-phenylprop-2-enoic acid

> <FORMULA>
C9H8O3

> <MASS>
164.15802

> <MONOISOTOPIC_MASS>
164.04734

> <CHARGE>
0

> <SMILES>
OC(=O)C(O)=Cc1ccccc1

> <INCHI>
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)

> <INCHIKEY>
DEDGUGJNLNLJSR-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
2413207

> <KEGG_COMPOUND_ACCESSION>
C02763

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