-OEChem-11021115572D

 20 19  0     0  0  0  0  0  0999 V2000
  297.0000   30.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  314.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  297.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  280.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  262.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  245.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  228.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  210.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  190.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  173.0000   10.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  156.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  138.0000   10.0000    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
  104.0000   10.0000    0.0000 C   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
   52.0000    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  3  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
10528722

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
NIST Chemistry WebBook

> <PUBCHEM_EXT_DATASOURCE_REGID>
3457095772

> <PUBCHEM_SUBSTANCE_SYNONYM>
(6Z)-6-Octadecenoic acid
6-Octadecenoic acid, (Z)-

> <PUBCHEM_XREF_EXT_ID>
3457095772

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://webbook.nist.gov/cgi/cbook.cgi?InChI=InChI%3D1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18%2819%2920/h12-13H%2C2-11%2C14-17H2%2C1H3%2C%28H%2C19%2C20%29/b13-12-%0A

> <PUBCHEM_CID_ASSOCIATIONS>
5281125  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$