-OEChem-10281115202D

  7  7  0     0  0  0  0  0  0999 V2000
    0.0000    1.2760    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3548    0.7651    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4553   -2.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7500   -1.0323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7500   -1.0323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2135    0.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  5  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
124799857

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ICCB-Longwood/NSRB Screening Facility, Harvard Medical School

> <PUBCHEM_EXT_DATASOURCE_REGID>
HMS2231K03

> <PUBCHEM_SUBSTANCE_COMMENT>
Sigma Chemical Company:118192

> <PUBCHEM_SUBSTANCE_SYNONYM>
HMS2231K03

> <PUBCHEM_XREF_EXT_ID>
HMS2231K03

> <PUBCHEM_EXT_DATASOURCE_URL>
http://iccb.med.harvard.edu/

> <PUBCHEM_CID_ASSOCIATIONS>
1201546  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$