LMFA01030742
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   21.0817    6.6654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9584    6.1591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0817    7.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1985    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3149    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4312    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5476    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6640    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7804    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8968    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0132    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1296    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2459    6.1591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3623    6.6653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4788    7.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951    7.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7115    7.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8278    7.6778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9443    7.1715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.6778    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  1  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  3  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>
LMFA01030742

> <COMMON_NAME>
Crepenynic acid

> <SYSTEMATIC_NAME>
9Z-Octadecen-12-ynoic acid

> <FORMULA>
C18H30O2

> <MASS>
278.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Crepeninic acid

> <INCHI_KEY>
SAOSKFBYQJLQOS-KTKRTIGZSA-N

> <INCHI>
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-

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

> <KEGG_ID>
C07289

> <HMDB_ID>
-

> <CHEBI_ID>
16423

> <ABBREVIATION>
FA 18:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281024

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
268017

> <CITATION>
-

$$$$