-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
    5.7558    7.9072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    6.1619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    5.4297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7558    8.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116    7.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0115    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4686    5.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4369    9.0334    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>
123067390

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMPR0102010021

> <PUBCHEM_SUBSTANCE_SYNONYM>
(E)-beta-ocimene
3,7-dimethyl-1,3E,6-octatriene
LMPR0102010021

> <PUBCHEM_XREF_EXT_ID>
LMPR0102010021

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMPR0102010021

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$