-OEChem-05171211442D

 10  9  0     0  0  0  0  0  0999 V2000
   26.5056  -15.4643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2930  -16.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0919  -15.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8792  -16.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6666  -15.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7183  -16.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5056  -14.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4539  -16.1813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7307  -14.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9310  -15.4583    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>
12059

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C09873

> <PUBCHEM_SUBSTANCE_SYNONYM>
13877-91-3
C09873
beta-Ocimene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
13877-91-3

> <PUBCHEM_XREF_EXT_ID>
C09873

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C09873

> <PUBCHEM_CID_ASSOCIATIONS>
5281553  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$