-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
    1.1491   -2.0175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.0150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -4.6898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -6.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1491   -0.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2981   -2.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2914   -6.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0134   -6.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3182    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
56311429

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
44132

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox ARYEXP: European Bioinformatics Institute (EBI) ArrayExpress Repository for Gene Expression Experiments Structure-Index Locator File <a href="http://www.epa.gov/ncct/dsstox/sdf_aryexp.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the ArrayExpress Repository Microarray Experiment Accession ID E-MEXP-899  <a href="http://www.ebi.ac.uk/arrayexpress/experiments/E-MEXP-899"target="_blank">Display ArrayExpress Webpage</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
(3E)-3,7-dimethylocta-1,3,6-triene
3779-61-1
Ocimene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
3779-61-1

> <PUBCHEM_XREF_EXT_ID>
44132

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/arrayexpress/experiments/E-MEXP-899

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$