-OEChem-03261012002D

 10 10  0     1  0  0  0  0  0999 V2000
    1.1572   -2.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1572   -3.9989    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3144   -2.0018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0093   -1.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -0.6719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -0.6626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1712    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3098   -4.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4437   -4.0083    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  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48421839

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
22333

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NCTRER: FDA National Center for Toxicology Research (NCTR) Estrogen Receptor Binding Database File <a href="http://www.epa.gov/ncct/dsstox/sdf_nctrer.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the NCTR Endocrine Disruptor Knowledge Base <a href="http://edkb.fda.gov/index.html"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
135-98-8
sec-butylbenzene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
135-98-8

> <PUBCHEM_XREF_EXT_ID>
22333

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

> <PUBCHEM_CID_ASSOCIATIONS>
8680  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$