-OEChem-08271216092D

 18 20  0     1  0  0  0  0  0999 V2000
   28.0093  -18.5564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0794  -22.6881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2473  -21.4976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8888  -20.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8888  -19.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2698  -19.2566    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   28.0794  -21.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2698  -20.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3903  -18.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6983  -21.4275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6282  -18.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3677  -20.7273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3677  -19.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.6508  -19.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3903  -17.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8413  -18.4163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5808  -16.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8413  -17.0857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
7847031

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C14221

> <PUBCHEM_SUBSTANCE_SYNONYM>
4250-77-5
6-Hydroxyflavanone
C14221

> <PUBCHEM_GENERIC_REGISTRY_NAME>
4250-77-5

> <PUBCHEM_XREF_EXT_ID>
C14221

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C14221

> <PUBCHEM_CID_ASSOCIATIONS>
2734580  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$