-OEChem-06111213163D

 10 10  0     0  0  0  0  0  0999 V2000
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254    1.4099   -1.1727 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8323    5.4310   -1.8708 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4209    1.9505   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1251   -0.0600   -1.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4951    1.9349   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0173    1.4259    0.0099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6798   -0.5645   -1.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4495    3.4395   -1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8761    3.9863   -1.6081 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
22388416

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
89239

> <PUBCHEM_SUBSTANCE_SYNONYM>
123-00-2
InChI=1/C7H16N2O/c8-2-1-3-9-4-6-10-7-5-9/h1-8H

> <PUBCHEM_GENERIC_REGISTRY_NAME>
123-00-2

> <PUBCHEM_XREF_EXT_ID>
89239

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/89239

> <PUBCHEM_CID_ASSOCIATIONS>
61055  1

> <PUBCHEM_CONFORMER_ID>
01559EC000010001

> <PUBCHEM_COORDINATE_TYPE>
2
3
4

$$$$