-OEChem-06111213152D

  9  8  0     0  0  0  0  0  0999 V2000
  138.0000   10.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   86.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   69.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  104.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  121.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.0000    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>
10504085

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
6055516

> <PUBCHEM_SUBSTANCE_SYNONYM>
1-Octanol
Octyl alcohol

> <PUBCHEM_XREF_EXT_ID>
6055516

> <PUBCHEM_EXT_DATASOURCE_URL>
http://webbook.nist.gov/chemistry/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H%2C2-8H2%2C1H3%0A

> <PUBCHEM_CID_ASSOCIATIONS>
957  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$