-OEChem-03101014052D

 18 19  0     0  0  0  0  0  0999 V2000
    5.3576   -2.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7065   -3.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3576   -3.0236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1630   -2.9602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931   -3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235   -3.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8931   -3.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3772   -2.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6235   -3.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395   -2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3772   -4.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1395   -4.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -3.2277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8596   -3.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   -3.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7073   -3.8113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1637   -2.4331    0.0000 H   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  4  2  0  0  0  0
  2 17  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  2  0  0  0  0
 11 15  2  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 14 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
24847297

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
11970_FLUKA

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Diphenyl-2-propenone
11970_FLUKA
Benzalacetophenone
Chalcone

> <PUBCHEM_XREF_EXT_ID>
11970_FLUKA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/FLUKA/11970?cm_mmc=PubChem-_-public%20database-_-products-_-products

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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