-OEChem-04091014592D

 16 15  0     0  0  0  0  0  0999 V2000
   12.6831    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9919    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -0.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8375   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6831   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5287   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3744   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2200   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0656   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9262   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7719   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6175   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3087   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1544   -2.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48425670

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
34033

> <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>
544-63-8
Tetradecanoic acid
myristic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
544-63-8

> <PUBCHEM_XREF_EXT_ID>
34033

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

> <PUBCHEM_CID_ASSOCIATIONS>
11005  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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