-OEChem-05031011042D

 11 11  0     0  0  0  0  0  0999 V2000
   51.0000   59.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   86.0000   39.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000    9.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   51.0000   38.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000   29.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   29.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   38.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   29.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10529630

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
3117482764

> <PUBCHEM_SUBSTANCE_SYNONYM>
Benzoylformic acid
Phenylglyoxylic acid

> <PUBCHEM_XREF_EXT_ID>
3117482764

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C8H6O3/c9-7%288%2810%2911%296-4-2-1-3-5-6/h1-5H%2C%28H%2C10%2C11%29%0A

> <PUBCHEM_CID_ASSOCIATIONS>
11915  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$