-OEChem-04091015002D

  5  4  0     0  0  0  0  0  0999 V2000
   29.8900  -23.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7700  -25.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.0100  -25.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.8900  -25.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5100  -25.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
47205671

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C16363

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 598-50-5
PDB-CCD: NMU

> <PUBCHEM_SUBSTANCE_SYNONYM>
598-50-5
C16363
Methylurea
N-Methylurea

> <PUBCHEM_GENERIC_REGISTRY_NAME>
598-50-5

> <PUBCHEM_XREF_EXT_ID>
C16363

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C16363

> <PUBCHEM_CID_ASSOCIATIONS>
11719  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$