Ketcher 03262113552D 1   1.00000     0.00000     0

 13 13  0     0  0            999 V2000
   10.9326  -19.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0665  -19.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0665  -18.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9326  -17.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7985  -18.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7985  -19.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6646  -17.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5307  -18.2371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3967  -17.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5307  -19.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2627  -18.2371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3967  -16.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2005  -17.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  6  2  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  8 10  2  0     0  0
  9 11  1  0     0  0
  9 12  2  0     0  0
  3 13  1  0     0  0
M  END
> <ID>
CHEBI:167870

> <NAME>
3-hydroxyphenylpyruvic acid

> <DEFINITION>
A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3-hydroxyphenyl group.

> <STAR>
3

> <SYNONYM>
m-hydroxyphenylpyruvic acid; 3-(3-hydroxyphenyl)pyruvic acid; (3-hydroxyphenyl)pyruvic acid

> <IUPAC_NAME>
3-(3-hydroxyphenyl)-2-oxopropanoic acid

> <FORMULA>
C9H8O4

> <MASS>
180.159

> <MONOISOTOPIC_MASS>
180.04226

> <CHARGE>
0

> <SMILES>
OC(=O)C(=O)CC1=CC(O)=CC=C1

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

> <INCHIKEY>
PNYWALDMLUDDTA-UHFFFAOYSA-N

> <PUBMED_CITATION>
7318990

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