LMFA12000400
  LIPID_MAPS_STRUCTURE_DATABASE

 22 21  0     0  0            999 V2000
   -0.4305   -0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2979    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1658    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0335    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9014    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7690    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6369    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5046    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3725    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2402    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1081    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9758    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8437    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7114    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5793    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4470    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3148    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.1825    0.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0504    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657    1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7114   -0.7513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.9147    0.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  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
  3 20  2  0     0  0
 14 21  1  0     0  0
 19 22  1  0     0  0
M  END
> <LM_ID>
LMFA12000400

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
14-methyleicos-(4E)-en-1-yn-3-one

> <FORMULA>
C21H36O

> <MASS>
304.28

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Oxygenated hydrocarbons [FA12]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UVRQKNUIMRDINS-KNTRCKAVSA-N

> <INCHI>
InChI=1S/C21H36O/c1-4-6-7-14-17-20(3)18-15-12-10-8-9-11-13-16-19-21(22)5-2/h2,16,19-20H,4,6-15,17-18H2,1,3H3/b19-16+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
459969

> <CITATION>
35447938

$$$$