-OEChem-11021115572D

 20 19  0     0  0  0  0  0  0999 V2000
   -5.9035    1.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9285   -1.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9035   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1891   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4748   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7560   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0416   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3272   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1797   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8941   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3272   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0416   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7560   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1847   -0.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9035   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285   -0.3283    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>
24898972

> <PUBCHEM_SUBSTANCE_VERSION>
3

> <PUBCHEM_EXT_DATASOURCE_NAME>
Sigma-Aldrich

> <PUBCHEM_EXT_DATASOURCE_REGID>
P8750_SIGMA

> <PUBCHEM_SUBSTANCE_SYNONYM>
P8750_SIGMA
Petroselinic acid
cis-6-Octadecenoic acid

> <PUBCHEM_XREF_EXT_ID>
P8750_SIGMA

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.sigmaaldrich.com?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIGMA/P8750?cm_mmc=affiliate-_-PubChem-_-product-_-link

> <PUBCHEM_CID_ASSOCIATIONS>
5281125  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$