548678
  -OEChem-03010813492D

 20 21  0     0  0  0  0  0  0999 V2000
   -2.5499   -2.0099    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0
   -0.2539    1.6799    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
   -1.5499   -0.5220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7979    1.6729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0299    0.1939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9139    1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5499    0.2179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2539    0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5499    1.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3830    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870    1.3199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1870    0.5849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0929    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    1.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300    0.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    1.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  0  0  0  0
  2  8  2  0  0  0  0
  3  9  1  0  0  0  0
  4 14  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  1  0  0  0  0
  9 15  2  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
M  CHG  2   1  -1   2   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
548678

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
60167

> <PUBCHEM_SUBSTANCE_COMMENT>
DTP/NCI from molfile.  Release-June 2007.
Structure Evaluation:Consistent with Molecular Formula.
Deposition record created from database webdb on host dtpiv1.ncifcrf.gov on Feb 22, 2008

> <PUBCHEM_SUBSTANCE_SYNONYM>
1151-98-0
APIGENINIDIN
NSC60167

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1151-98-0

> <PUBCHEM_XREF_EXT_ID>
60167

> <PUBCHEM_EXT_DATASOURCE_URL>
http://dtp.nci.nih.gov/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dtp.nci.nih.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=60167

> <PUBCHEM_CID_ASSOCIATIONS>
159360  1
313  2
441647  2

$$$$