LMFA08020455
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
    8.6587    9.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    8.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7927    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8208    7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6869    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5530    7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4190    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1510    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2849    7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2849    8.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    7.5606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0170    7.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  3  2  0     0  0
  4  5  2  0     0  0
  5  2  1  0     0  0
  2  7  2  0     0  0
  7  3  1  0     0  0
  4 18  1  0     0  0
  5 17  1  0     0  0
 17  6  1  0     0  0
  7  8  1  0     0  0
  8 16  1  0     0  0
 16 19  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 14  1  0     0  0
 14 13  1  0     0  0
 14 15  1  0     0  0
 19 20  2  0     0  0
 13 21  1  0     0  0
 19  9  1  0     0  0
M  END
> <LM_ID>
LMFA08020455

> <COMMON_NAME>
Homocapsaicin II

> <SYSTEMATIC_NAME>
6-Methyl-N-vanillyl-4E-octenamide

> <FORMULA>
C17H25NO3

> <MASS>
291.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJBHHCDOMQCPID-FNORWQNLSA-N

> <INCHI>
InChI=1S/C17H25NO3/c1-4-13(2)7-5-6-8-17(20)18-12-14-9-10-15(19)16(11-14)21-3/h5,7,9-11,13,19H,4,6,8,12H2,1-3H3,(H,18,20)/b7-5+

> <SMILES>
C1=CC(CNC(CC/C=C/C(C)CC)=O)=CC(OC)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 17:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101405333

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Methoxy fatty acids [FA0108]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -; -

> <TAXONOMY>
4072

> <CITATION>
17402044

$$$$