-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
    4.8167   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5312   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2444   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457   -2.9561    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>
135610944

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:64280

> <PUBCHEM_SUBSTANCE_SYNONYM>
(3E)-3,7-dimethylocta-1,3,6-triene
(E)-3,7-dimethylocta-1,3,6-triene
(E)-beta-ocimene
3,7-dimethyl-1,3E,6-octatriene
CHEBI:64280
trans-3,7-dimethylocta-1,3,6-triene
trans-beta-Ocimene

> <PUBCHEM_XREF_EXT_ID>
CHEBI:64280

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:64280

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$