-OEChem-07191013242D

 19 22  0     0  0  0  0  0  0999 V2000
   25.6900  -14.4900    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   24.5000  -12.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5000  -13.7900    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   22.1200  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1200  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8100  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8100  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3100  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3100  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000  -14.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3100  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5000  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1200  -13.8600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6200  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6200  -18.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5000  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4300  -16.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4300  -17.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  2  0  0  0  0
 11 14  1  0  0  0  0
 12 17  2  0  0  0  0
 13 17  1  0  0  0  0
 15 18  2  0  0  0  0
 16 19  2  0  0  0  0
 18 19  1  0  0  0  0
M  CHG  2   1  -1   3   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
17395406

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C14406

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 892-21-7
NIKKAJI: J551G

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Nitrofluoranthene
892-21-7
C14406

> <PUBCHEM_GENERIC_REGISTRY_NAME>
892-21-7

> <PUBCHEM_XREF_EXT_ID>
C14406

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C14406

> <PUBCHEM_CID_ASSOCIATIONS>
13462  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$