-OEChem-09211013213D

  5  4  0     0  0  0  0  0  0999 V2000
   -4.4990   20.9850   15.9080 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.7150   20.1290   16.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3480   22.2410   16.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7670   21.4660   14.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1990   20.1250   15.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_SUBSTANCE_ID>
7890793

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
SMID

> <PUBCHEM_EXT_DATASOURCE_REGID>
TMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
TETRAMETHYLAMMONIUM ION
TMA

> <PUBCHEM_XREF_EXT_ID>
TMA

> <PUBCHEM_NCBI_MMDB_ID>
13456

> <PUBCHEM_EXT_DATASOURCE_URL>
http://smid.blueprint.org/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://smid.blueprint.org/SMInfo.php?hetname=TMA

> <PUBCHEM_CID_ASSOCIATIONS>
6380  1

> <PUBCHEM_CONFORMER_ID>
0078676900010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$