-OEChem-06111213152D

  9  8  0     0  0  0  0  0  0999 V2000
 -999.0000  854.1700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 -248.5130  999.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375  857.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -498.6990  857.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  245.2380  999.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 -748.8490  999.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  495.3890  857.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  745.5400  999.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  995.7250  857.4800    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>
3023

> <PUBCHEM_SUBSTANCE_VERSION>
9

> <PUBCHEM_EXT_DATASOURCE_NAME>
BioCyc

> <PUBCHEM_EXT_DATASOURCE_REGID>
OCTANOL

> <PUBCHEM_SUBSTANCE_COMMENT>
TYPES: Compounds
Is a product of enzyme EC 1.14.15.3
Is a reactant of enzyme EC 1.1.1.73
Is a reactant of enzyme EC 1.1.99.-

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-octanol
111-87-5
N-octanol
N-octyl-alcohol
caprylic alcohol
octanol
octyl-alcohol

> <PUBCHEM_GENERIC_REGISTRY_NAME>
111-87-5

> <PUBCHEM_XREF_EXT_ID>
OCTANOL

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

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

> <PUBCHEM_CID_ASSOCIATIONS>
957  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$