-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
  -78.1698  654.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -276.7910  540.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -276.7910  310.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -78.1698  196.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -78.1698  -33.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -78.1698  884.3310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.4240  540.3220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -276.7910 -147.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.4240 -147.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  120.4510  999.0000    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>
57389436

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD-4889

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Monoterpenes
Is a product of enzyme EC 4.2.3.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
(E)-beta-ocimene
CPD-4889
trans-beta-ocimene

> <PUBCHEM_XREF_EXT_ID>
CPD-4889

> <PUBCHEM_PUBMED_ID>
15299125

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-4889

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$