-OEChem-09211010322D

 10 10  0     0  0  0  0  0  0999 V2000
    0.0000   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7207    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7172    0.8310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7172   -1.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207   -1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
12086

> <PUBCHEM_SUBSTANCE_VERSION>
5

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C09900

> <PUBCHEM_SUBSTANCE_COMMENT>
CAS: 99-85-4
ChEBI: 10577
LIPIDMAPS: LMPR0102090027
KNApSAcK: C00003061
3DMET: B03363
NIKKAJI: J4.974C

> <PUBCHEM_SUBSTANCE_SYNONYM>
99-85-4
C09900
gamma-Terpinene

> <PUBCHEM_GENERIC_REGISTRY_NAME>
99-85-4

> <PUBCHEM_XREF_EXT_ID>
C09900

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C09900

> <PUBCHEM_CID_ASSOCIATIONS>
7461  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$