-OEChem-03101014052D

 16 17  0     0  0  0  0  0  0999 V2000
    0.6931   -1.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724   -0.5759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4724   -0.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0483   -0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -0.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3793    0.6690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7448   -0.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4862    0.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1759   -0.6310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310   -0.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0828    1.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8103    0.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103    1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -0.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9276    0.5897    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>
4654

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C01484

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 94-41-7
ChEBI: 27618
3DMET: B01455

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,3-Diphenyl-2-propen-1-one
94-41-7
Benzylideneacetophenone
C01484
Chalcone

> <PUBCHEM_GENERIC_REGISTRY_NAME>
94-41-7

> <PUBCHEM_XREF_EXT_ID>
C01484

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C01484

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$