-OEChem-03261011582D

  8  8  0     1  0  0  0  0  0999 V2000
   -0.8333   -2.5667    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3125   -2.8667    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3125   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -2.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -3.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2042   -2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3458   -3.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7292   -2.8667    0.0000 C   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
  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>
85731596

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:127752

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Ethyl-piperidine
CHEBI:127752

> <PUBCHEM_XREF_EXT_ID>
CHEBI:127752

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:127752

> <PUBCHEM_CID_ASSOCIATIONS>
94205  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$