LMFA08020456
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    8.7292    9.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7292    7.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6022    8.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8561    8.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8561    7.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1099    7.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6022    7.6221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    7.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9251    7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7983    7.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6714    7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3484    7.6221    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9831    7.1181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9831    9.1343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2215    7.1181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2215    6.1099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5374    7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4035    7.5717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2695    7.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1355    7.5716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0015    7.0716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8676    7.5715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0015    6.0716    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 14  1  0     0  0
  5 13  1  0     0  0
 13  6  1  0     0  0
  7  8  1  0     0  0
  8 12  1  0     0  0
 12 15  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 15 16  2  0     0  0
 15  9  1  0     0  0
 11 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMFA08020456

> <COMMON_NAME>
Homocapsaicin I

> <SYSTEMATIC_NAME>
9-Methyl-N-vanillyl-7E-decenamide

> <FORMULA>
C19H29NO3

> <MASS>
319.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JKIHLSTUOQHAFF-VQHVLOKHSA-N

> <INCHI>
InChI=1S/C19H29NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h7,9,11-13,15,21H,4-6,8,10,14H2,1-3H3,(H,20,22)/b9-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165229

> <ABBREVIATION>
NA 19:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442566

> <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

$$$$