-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
    1.3817   -0.0051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5213    0.4941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3458    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2045    0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0785    0.0153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2489    0.4890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3817   -1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9423    0.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0836   -0.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1229   -0.0170    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>
134990091

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
0013877913

> <PUBCHEM_SUBSTANCE_SYNONYM>
1,3,6-Octatriene, 3,7-dimethyl-
11009-78-2
11022-64-3
13877-91-3
1856-63-9
3,7-Dimethyl-1,3,6-octatriene
3,7-Dimethyl-1,3,6-octatriene (natural)
3,7-Dimethylocta-1,3,6-triene
EINECS 237-641-2
FEMA No. 3539
Ocimene, beta-
beta-Ocimene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
11009-78-2
11022-64-3
13877-91-3
1856-63-9

> <PUBCHEM_XREF_EXT_ID>
0013877913

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=0013877913

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$