-OEChem-09151010572D

 11 11  0     0  0  0  0  0  0999 V2000
    2.8700    1.0985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    0.6542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1899    1.3045    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060    0.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740    1.0215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799    1.3045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6579   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6060   -0.9384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4740   -1.5914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9959    0.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  7  2  0  0  0  0
  3  7  1  0  0  0  0
  4  6  2  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  2  0  0  0  0
  8 10  2  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
125979

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
209527

> <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>
5813-86-5
NSC209527
m-Anisamide

> <PUBCHEM_GENERIC_REGISTRY_NAME>
5813-86-5

> <PUBCHEM_XREF_EXT_ID>
209527

> <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=209527

> <PUBCHEM_CID_ASSOCIATIONS>
98487  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$