-OEChem-08271216082D

 18 20  0     1  0  0  0  0  0999 V2000
    4.6589   -1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -4.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9763   -1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9905   -2.3045    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9858   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6589   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6637   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9810   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6542    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6495   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9810    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9953   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 18  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48421935

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
22429

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NCTRER: FDA National Center for Toxicology Research (NCTR) Estrogen Receptor Binding Database File <a href="http://www.epa.gov/ncct/dsstox/sdf_nctrer.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the NCTR Endocrine Disruptor Knowledge Base <a href="http://edkb.fda.gov/index.html"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
4250-77-5
6-hydroxy-2-phenyl-2,3-dihydro-4H-chromen-4-one
6-hydroxyflavanone

> <PUBCHEM_GENERIC_REGISTRY_NAME>
4250-77-5

> <PUBCHEM_XREF_EXT_ID>
22429

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

> <PUBCHEM_CID_ASSOCIATIONS>
2734580  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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