-OEChem-11021115572D

 20 19  0     0  0  0  0  0  0999 V2000
   16.8409  -16.6767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6431  -18.7558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8409  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0450  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2490  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4531  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6572  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8612  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4998  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7039  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9079  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1057  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3098  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5139  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7179  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9281  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.1262  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3301  -18.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5342  -18.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.7384  -18.0670    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>
10559

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C08363

> <PUBCHEM_SUBSTANCE_SYNONYM>
(6Z)-Octadecenoic acid
593-39-5
C08363
Petroselinic acid
cis-6-Octadecenoic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
593-39-5

> <PUBCHEM_XREF_EXT_ID>
C08363

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd:C08363

> <PUBCHEM_CID_ASSOCIATIONS>
5281125  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$