Marvin  12260716552D          

 12 12  0  0  0  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  4  3  1  0  0  0  0
  7  4  1  0  0  0  0
  5  4  2  0  0  0  0
  6  2  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
M  CHG  1  12  -1
M  END
> <ID>
CHEBI:18005

> <NAME>
keto-phenylpyruvate

> <DEFINITION>
A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:14784; CHEBI:26007; CHEBI:12821

> <SYNONYM>
3-phenylpyruvate; 3-phenyl-2-oxopropanoate; 3-(4-hydroxyphenyl)pyruvate

> <IUPAC_NAME>
2-oxo-3-phenylpropanoate

> <FORMULA>
C9H7O3

> <MASS>
163.15008

> <MONOISOTOPIC_MASS>
163.04007

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)C(=O)Cc1ccccc1

> <INCHI>
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)/p-1

> <INCHIKEY>
BTNMPGBKDVTSJY-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3944391

> <GMELIN_REGISTRY_NUMBER>
847922

> <KEGG_COMPOUND_ACCESSION>
C00166

> <METACYC_ACCESSION>
PHENYL-PYRUVATE

$$$$