-OEChem-09021010392D

 10  9  0     0  0  0  0  0  0999 V2000
   29.8159  -17.7982    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.4581  -17.0558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1505  -17.1845    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   37.1354  -17.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.0261  -17.0909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2539  -17.7633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5824  -17.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6976  -17.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3781  -17.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9019  -17.0090    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  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
9375

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C07166

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 112-24-3
ChEBI: 39501
PDB-CCD: 104
NIKKAJI: J5.120I

> <PUBCHEM_SUBSTANCE_SYNONYM>
112-24-3
C07166
Trientine
Triethylenetetramine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
112-24-3

> <PUBCHEM_XREF_EXT_ID>
C07166

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C07166

> <PUBCHEM_CID_ASSOCIATIONS>
5565  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$