LMFA01031137
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   -0.9261   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6615   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5292    0.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0738   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6718   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5377   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4037   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2697   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1357   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8677   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3952    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2612    1.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1273    1.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9933    2.2471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8593    2.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  3  0     0  0
  1  5  2  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
 12 13  1  0     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
  4 16  1  0     0  0
 16 17  3  0     0  0
 17 18  1  0     0  0
 18 19  3  0     0  0
 19 20  1  0     0  0
M  END
> <LM_ID>
LMFA01031137

> <COMMON_NAME>
Octadeca-9-en-12,14,16-triynoic acid

> <SYSTEMATIC_NAME>
(Z)-octadeca-9-en-12,14,16-triynoic acid

> <FORMULA>
C18H22O2

> <MASS>
270.16

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBPHBEHMXIJPJW-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C18H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,8,11-17H2,1H3,(H,19,20)/b10-9-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185680

> <ABBREVIATION>
FA 18:7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812103

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55843

> <CITATION>
18387369

$$$$