LMFA01030734
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   17.4807    6.5095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2092    6.0887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4807    7.1831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7469    6.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0127    6.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2785    6.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5443    6.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8101    6.0887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0760    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3418    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6076    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8734    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1393    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4051    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6709    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9367    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2025    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4684    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7342    5.6681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  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  3  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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
> <LM_ID>
LMFA01030734

> <COMMON_NAME>
9Z,12Z-Octadecadien-6-ynoic acid

> <SYSTEMATIC_NAME>
9Z,12Z-Octadecadien-6-ynoic acid

> <FORMULA>
C18H28O2

> <MASS>
276.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Acetylenic acids

> <INCHI_KEY>
UECZBRRJYAZMDX-HZJYTTRNSA-N

> <INCHI>
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-

> <SMILES>
C(CCCCC#CC/C=C\C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
86506

> <ABBREVIATION>
FA 18:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9543633

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$