-OEChem-03101014052D

 16 17  0     0  0  0  0  0  0999 V2000
   26.8640  -19.0371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.1196  -16.9286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8989  -17.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2905  -17.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6782  -16.9696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3532  -17.6388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1179  -15.5286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4985  -17.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3378  -15.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0896  -17.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5647  -16.9372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3294  -14.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5630  -15.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0441  -14.9305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8659  -17.0444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8432  -15.6501    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>
17396581

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C15589

> <PUBCHEM_SUBSTANCE_COMMENT>
generic compound in reaction hierarchy
Is a reactant or product of enzyme EC 5.5.1.6

> <PUBCHEM_SUBSTANCE_SYNONYM>
C15589
Chalcone

> <PUBCHEM_XREF_EXT_ID>
C15589

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C15589

> <PUBCHEM_CID_ASSOCIATIONS>
637760  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$