-OEChem-03261011582D

  9  9  0     1  0  0  0  0  0999 V2000
   -1.0791    0.8685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0588    0.2114    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0588   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171    0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791   -1.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1858    0.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2171   -1.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.2027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0791    1.4415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
127014

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
DTP/NCI

> <PUBCHEM_EXT_DATASOURCE_REGID>
211477

> <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>
.alpha.-Ethylpiperidine
1484-80-6
2-Ethylpiperidine
NSC211477
Piperidine, 2-ethyl-

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1484-80-6

> <PUBCHEM_XREF_EXT_ID>
211477

> <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=211477

> <PUBCHEM_CID_ASSOCIATIONS>
94205  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$