-OEChem-05031011043D

 11 11  0     0  0  0  0  0  0999 V2000
   68.6590   55.0480   -4.6370 O   0  0  0  0  0  0  0  0  0  0  0  0
   67.3040   57.2310   -4.5960 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.1020   58.3900   -5.1970 O   0  0  0  0  0  0  0  0  0  0  0  0
   69.2120   55.9920   -5.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.3480   55.7940   -5.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   68.5060   57.3210   -4.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.2450   56.7750   -6.3790 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.6030   54.5270   -6.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.3520   56.5030   -7.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
   71.7020   54.2390   -7.3170 C   0  0  0  0  0  0  0  0  0  0  0  0
   72.5930   55.2290   -7.6830 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>
7885045

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
SMID

> <PUBCHEM_EXT_DATASOURCE_REGID>
173

> <PUBCHEM_SUBSTANCE_SYNONYM>
BENZOYL-FORMIC ACID
OXO(PHENYL)ACETIC ACID

> <PUBCHEM_XREF_EXT_ID>
173

> <PUBCHEM_EXT_DATASOURCE_URL>
http://smid.blueprint.org/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://smid.blueprint.org/SMInfo.php?hetname=173

> <PUBCHEM_CID_ASSOCIATIONS>
11915  1

> <PUBCHEM_CONFORMER_ID>
007850F500010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$