-OEChem-04091014593D

  5  4  0     0  0  0  0  0  0999 V2000
   -1.0425   -0.6263    0.0086 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1783   -0.6620   -0.0127 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0162    1.3436    0.0094 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1981   -2.1268   -0.0208 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>
594709

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20025572

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5
Methylurea
N-methylurea
urea, N-methyl-

> <PUBCHEM_XREF_EXT_ID>
20025572

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nmrshiftdb.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20025572

> <PUBCHEM_CID_ASSOCIATIONS>
11719  1

> <PUBCHEM_CONFORMER_ID>
0009131500030001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$