-OEChem-10281115202D

 11 11  0     1  0  0  0  0  0999 V2000
    0.8352    0.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    0.3312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938   -0.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.7437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    1.9813    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.3082    1.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207   -0.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5938    2.8063    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>
11533235

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:35596

> <PUBCHEM_SUBSTANCE_SYNONYM>
(+)-(R)-Pulegone
(1R)-(+)-p-Menth-4(8)-en-3-one
(5R)-2-isopropylidene-5-methylcyclohexanone
(5R)-5-methyl-2-(propan-2-ylidene)cyclohexan-1-one
(R)-pulegone
1beta-p-menth-4(8)-en-3-one
CHEBI:35596
d-Pulegone

> <PUBCHEM_XREF_EXT_ID>
CHEBI:35596

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35596

> <PUBCHEM_CID_ASSOCIATIONS>
442495  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

> <PUBCHEM_BONDANNOTATIONS>
7  11  5

$$$$