-OEChem-11021115572D

 20 19  0     0  0  0  0  0  0999 V2000
   17.2565    6.4850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9710    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2565    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5419    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8274    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1130    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3984    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6839    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8589    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1445    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4300    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7156    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0011    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2867    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5723    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8578    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1433    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4289    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7144    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.6600    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>
7849934

> <PUBCHEM_SUBSTANCE_VERSION>
8

> <PUBCHEM_EXT_DATASOURCE_NAME>
LipidMAPS

> <PUBCHEM_EXT_DATASOURCE_REGID>
LMFA01030066

> <PUBCHEM_SUBSTANCE_SYNONYM>
LMFA01030066
Petroselinic acid; Petroselic acid; 5-heptadecylene-1-carboxylic acid; delta-5-octadecylenic acid; cis-6-octadecenoic acid; C18:1n-12

> <PUBCHEM_XREF_EXT_ID>
LMFA01030066

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.lipidmaps.org

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.lipidmaps.org/data/LMSDRecord.php?LM_ID=LMFA01030066

> <PUBCHEM_CID_ASSOCIATIONS>
5281125  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$