-OEChem-01131113483D

 10 10  0     1  0  0  0  0  0999 V2000
    4.2597    4.9963    2.1344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0482    0.6814   -0.0138 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712    3.2483    2.4404 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2671    1.7717   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7427    3.2017    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0165    1.3646    0.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7000    3.4183    1.1763 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2973   -0.3859   -0.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792    4.8328    1.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  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>
8002497

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20045930

> <PUBCHEM_SUBSTANCE_COMMENT>
999-99-9

> <PUBCHEM_SUBSTANCE_SYNONYM>
InChI=1/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9

> <PUBCHEM_XREF_EXT_ID>
20045930

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20045930

> <PUBCHEM_CID_ASSOCIATIONS>
165271  1

> <PUBCHEM_CONFORMER_ID>
007A1BC100020001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$