-OEChem-11021115572D

 20 19  0     0  0  0  0  0  0999 V2000
    1.4290    1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8580    0.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    1.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    1.4733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723    2.2983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    2.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    3.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.9483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157    5.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7157    6.0108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4301    7.2483    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>
8144382

> <PUBCHEM_SUBSTANCE_VERSION>
9

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:28194

> <PUBCHEM_SUBSTANCE_COMMENT>
Exerts strong skin perturbation effects.

> <PUBCHEM_SUBSTANCE_SYNONYM>
(6Z)-octadec-6-enoic acid
(6Z)-petroselinic acid
(Z)-6-octadecenoic acid
CHEBI:28194
Octadec-6c-ensaere
Petroseleninsaeure
Petroselinsaeure
cis-Delta(6)-octadecenoic acid
cis-octadec-6-enoic acid
cis-omega-12-octadecenoic acid
cis-petroselinic acid

> <PUBCHEM_XREF_EXT_ID>
CHEBI:28194

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:28194

> <PUBCHEM_CID_ASSOCIATIONS>
5281125  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$