-OEChem-10201113242D

  9  9  0     0  0  0  0  0  0999 V2000
    0.0460    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6462    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0460   -4.6021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6903   -1.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -1.1505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6903   -3.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7152   -2.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -3.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  2  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
56312600

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
47470

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox GEOGSE: National Center for Biotechnology Information (NCBI) Gene Expression Omnibus (GEO) Series Experiment Structure-Index Locator File <a href="http://www.epa.gov/ncct/dsstox/sdf_geogse.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit GEO Series Microarray Experiment Accession ID GSE7664 <a href="http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE7664target=_blank">Display GEO Series Webpage</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,2,4-benzenetriol
533-73-3
benzene-1,2,4-triol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
533-73-3

> <PUBCHEM_XREF_EXT_ID>
47470

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE7664

> <PUBCHEM_CID_ASSOCIATIONS>
10787  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$