-OEChem-07191013242D

 19 22  0     0  0  0  0  0  0999 V2000
    3.8241    1.9414    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.6448    4.1414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6448    2.7172    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1310   -0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310   -1.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1379   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3552   -1.8069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    1.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0552    1.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759   -2.3069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -0.1172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1310    2.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5517   -0.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690   -3.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -1.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2552   -1.8345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4690   -3.0966    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>
156812

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000892217

> <PUBCHEM_SUBSTANCE_COMMENT>
Carcinogens
Mutagens
Mutation data
Tumor data
Noxae
Overall Carcinogenic Evaluation: Group 3

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-05-00-02279 (Beilstein Handbook Reference)
3-Nitrofluoranthene
4-Nitrofluoranthene
892-21-7
BRN 2216474
CCRIS 2054
Fluoranthene, 3-nitro-
NSC 57468

> <PUBCHEM_GENERIC_REGISTRY_NAME>
892-21-7

> <PUBCHEM_XREF_EXT_ID>
000892217

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000892217

> <PUBCHEM_CID_ASSOCIATIONS>
13462  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$