-OEChem-02171214062D

 24 25  0     1  0  0  0  0  0999 V2000
    6.9126   -5.3174    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5958   -1.3294    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.9881    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.5958   -3.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6605   -2.0130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5211   -0.0127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3563   -3.3297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7732   -3.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -3.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9126   -3.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7732   -1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0647   -1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -3.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0647   -3.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9126   -1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4563   -1.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3042   -3.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2042   -1.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3563   -2.0004    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.5211   -1.3420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 15  1  0  0  0  0
  7 24  2  0  0  0  0
  8 24  1  0  0  0  0
 23  9  1  1  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 20  2  0  0  0  0
 11 21  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  2  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 22  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
56313120

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
48042

> <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 GSE7051 <a href="http://www.ncbi.nlm.nih.gov/geo/query/acc.cgi?acc=GSE7051target=_blank">Display GEO Series Webpage</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
51-48-9
O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine
T4
thyroxine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
51-48-9

> <PUBCHEM_XREF_EXT_ID>
48042

> <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=GSE7051

> <PUBCHEM_CID_ASSOCIATIONS>
5819  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
23  9  5

$$$$