-OEChem-10311114432D

  5  4  0     0  0  0  0  0  0999 V2000
    2.3056   -1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1511   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3056    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4567   -1.9945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48425223

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
33586

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NTPHTS: National Toxicology Program (NTP) High Throughput Screening Project Structure-Index File <a href="http://www.epa.gov/ncct/dsstox/sdf_ntphts.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the National Institute of Environmental Health Sciences (NIEHS) NTP High Throughput Screening Initiative <a href="http://ntp.niehs.nih.gov/index.cfm?objectid=05F80E15-F1F6-975E-77DDEDBDF3B941CD"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
78-79-5
Isoprene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
78-79-5

> <PUBCHEM_XREF_EXT_ID>
33586

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_ntphts.html

> <PUBCHEM_CID_ASSOCIATIONS>
6557  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$