-OEChem-06111213152D

  9  8  0     0  0  0  0  0  0999 V2000
   26.9775  -16.5496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.3328  -15.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1200  -16.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5519  -16.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9072  -15.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7647  -15.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6881  -16.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4753  -15.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2625  -16.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
4018

> <PUBCHEM_SUBSTANCE_VERSION>
6

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00756

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant of enzyme EC: 1.1.1.73
Is a reactant of enzyme EC: 1.14.15.3

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Octanol
111-87-5
C00756

> <PUBCHEM_GENERIC_REGISTRY_NAME>
111-87-5

> <PUBCHEM_XREF_EXT_ID>
C00756

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C00756

> <PUBCHEM_CID_ASSOCIATIONS>
957  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$