-OEChem-03261012002D

 10 10  0     1  0  0  0  0  0999 V2000
    2.5300   -1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600   -1.1400    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0700   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700   -0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200   -0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5600   -1.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9400   -0.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9900   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  6  7  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>
22389267

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NMRShiftDB

> <PUBCHEM_EXT_DATASOURCE_REGID>
20096829

> <PUBCHEM_SUBSTANCE_SYNONYM>
5787-28-0
InChI=1/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H

> <PUBCHEM_GENERIC_REGISTRY_NAME>
5787-28-0

> <PUBCHEM_XREF_EXT_ID>
20096829

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.nmrshiftdb.org/portal/js_pane/P-Results/nmrshiftdbaction/showDetailsFromHome/molNumber/20096829

> <PUBCHEM_CID_ASSOCIATIONS>
8680  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$