-OEChem-07191013252D

 16 18  0     0  0  0  0  0  0999 V2000
    2.3030   -4.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261   -4.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -0.6636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614   -2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614   -3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060   -4.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3030   -1.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0261   -2.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554   -3.9893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8068   -3.3257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1554   -2.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7614    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  2  9  1  0  0  0  0
  2 14  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
 11 15  2  0  0  0  0
 12 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48424747

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
33110

> <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>
4-methoxy-7H-furo[3,2-g]chromen-7-one
484-20-8
5-Methoxypsoralen

> <PUBCHEM_GENERIC_REGISTRY_NAME>
484-20-8

> <PUBCHEM_XREF_EXT_ID>
33110

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

> <PUBCHEM_CID_ASSOCIATIONS>
2355  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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