LMFA01031146
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
    0.1305   -1.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7385   -1.0032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6072   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9972   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8643   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5984   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4655   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3326   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1996   -1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9338   -1.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667   -0.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4743   -0.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3302    0.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1972    0.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0643    1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0655    1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9326    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9338    1.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0     0  0
  2  3  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 11 13  2  0     0  0
  1  4  1  0     0  0
  3 14  3  0     0  0
 14 15  1  0     0  0
 15 16  3  0     0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
M  END
> <LM_ID>
LMFA01031146

> <COMMON_NAME>
(E)-octadeca-15,17-dien-9,11,13-triynoic acid

> <SYSTEMATIC_NAME>
Octadeca-15,17-(E)-dien-9,11,13-triynoic acid

> <FORMULA>
C18H20O2

> <MASS>
268.15

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFPIFUWZTJSLOR-ONEGZZNKSA-N

> <INCHI>
InChI=1S/C18H20O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-4H,1,11-17H2,(H,19,20)/b4-3+

> <SMILES>
C(CCCCCCCC(=O)O)#CC#CC#C/C=C/C=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187543

> <ABBREVIATION>
FA 18:8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812109

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
397394

> <CITATION>
18387369

$$$$