LMFA01030114
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   12.9885    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8545    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4527    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3188    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1848    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0509    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9170    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6491    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1225    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2564    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5245    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030114

> <COMMON_NAME>
6,8-octadecadienoic acid

> <SYSTEMATIC_NAME>
6E,8E-octadecadienoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18:2n-12

> <INCHI_KEY>
CNKMVAJDUBKHMS-AQASXUMVSA-N

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h10-13H,2-9,14-17H2,1H3,(H,19,20)/b11-10+,13-12+

> <SMILES>
C(CCCCCCCC)/C=C/C=C/CCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196530

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282792

> <LIPIDBANK_ID>
DFA0153

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$