-OEChem-03101014052D

 16 17  0     0  0  0  0  0  0999 V2000
   52.0000   60.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   40.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000   39.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   86.0000   40.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  121.0000   40.0000    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
  121.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  138.0000   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  138.0000   11.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10538495

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
1722821931

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Propen-1-one, 1,3-diphenyl-
Chalcone

> <PUBCHEM_XREF_EXT_ID>
1722821931

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?ID=C94417

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$