-OEChem-10281115202D

 11 11  0     1  0  0  0  0  0999 V2000
  281.3450   97.8355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -238.9630   97.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910  248.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910  548.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -238.9630 -202.5530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -499.0810  248.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -238.9630  698.6120    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
 -499.0810  548.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1910 -352.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -499.0810 -352.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -238.9630  999.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  1  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
  7 11  1  1  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
57391083

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
CPD-4942

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Monoterpenes
Is a product of enzyme EC 1.3.1.81
Is a reactant of enzyme EC 1.14.13.104

> <PUBCHEM_SUBSTANCE_SYNONYM>
(+)-pulegone
CPD-4942

> <PUBCHEM_XREF_EXT_ID>
CPD-4942

> <PUBCHEM_PUBMED_ID>
15542490

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://biocyc.org/META/NEW-IMAGE?type=COMPOUND&object=CPD-4942

> <PUBCHEM_CID_ASSOCIATIONS>
442495  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  11  5

$$$$