-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
   35.0000   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   70.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   87.0000   31.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000   21.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  122.0000   30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10520902

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
60136743

> <PUBCHEM_SUBSTANCE_SYNONYM>
.beta.-trans-Ocimene
1,3,6-Octatriene, 3,7-dimethyl-, (E)-

> <PUBCHEM_XREF_EXT_ID>
60136743

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?ID=C3779611

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$