-OEChem-10201113252D

 40 41  0     0  0  0  0  0  0999 V2000
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   24.0890   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0890   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2776   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -4.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2776   -0.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4337   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9532   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4133   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4133   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9055   -5.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7243   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8475   -0.9773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1909    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5695   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7910   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1622   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2776   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7053   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6552   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8939   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4930   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7053   -0.8716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6552   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0297   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3308   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1918   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1687   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0329   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4370   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8707   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5992   -2.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7085   -2.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3012   -0.9509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0329   -4.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3  9  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 21  1  0  0  0  0
  6 12  1  0  0  0  0
  6 22  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 19  2  0  0  0  0
 10 20  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 19 23  1  0  0  0  0
 20 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 27  1  0  0  0  0
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 24 28  1  0  0  0  0
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 29 31  2  0  0  0  0
 30 32  2  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 35  2  0  0  0  0
 33 39  1  0  0  0  0
 34 36  2  0  0  0  0
 34 40  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 38  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48422954

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
30828

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NTPBSI: National Toxicology Program (NTP) Bioassay On-line Database Structure-Index Locator File <a href="http://www.epa.gov/ncct/dsstox/sdf_ntpbsi.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the NTP Study <a href="http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.ntpstudiesforchemical&cas_no=7235-40-7"target="_blank">Chemical Results Webpage</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
7235-40-7
C.I. 75130
beta,beta-carotene
beta-Carotene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
7235-40-7

> <PUBCHEM_XREF_EXT_ID>
30828

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://ntp-apps.niehs.nih.gov/ntp_tox/index.cfm?fuseaction=ntpsearch.ntpstudiesforchemical&cas_no=7235-40-7

> <PUBCHEM_CID_ASSOCIATIONS>
5280489  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$