LMFA08020364
  LIPID_MAPS_STRUCTURE_DATABASE

 16 15  0     0  0            999 V2000
   -0.4310   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -0.7465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4310    0.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2993   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1680   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9053   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7740   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6427   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5113   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3800   -0.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2487   -0.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2970   -0.2464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1630   -0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0290   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1631   -1.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  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
  2 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 14 16  1  0     0  0
M  END
> <LM_ID>
LMFA08020364

> <COMMON_NAME>
9,10-dehydropellitorine

> <SYSTEMATIC_NAME>
Deca-2E,4E,9-trienoic acid isobutylamide

> <FORMULA>
C14H23NO

> <MASS>
221.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBMHOOZXZMQKRR-BNFZFUHLSA-N

> <INCHI>
InChI=1S/C14H23NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h4,8-11,13H,1,5-7,12H2,2-3H3,(H,15,16)/b9-8+,11-10+

> <SMILES>
C(/C=C/C=C/CCCC=C)(=O)NCC(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 14:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119155

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
159698

> <CITATION>
28498323

$$$$