LMFA08020085
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  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
   12.9888    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8549    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4530    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3190    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0510    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    7.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    8.5606    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
  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 20  1  0     0  0
  5 19  1  0     0  0
 19  6  1  0     0  0
  7  8  1  0     0  0
  8 18  1  0     0  0
 18 21  1  0     0  0
 21  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 16  1  0     0  0
 16 15  1  0     0  0
 16 17  1  0     0  0
 21 22  2  0     0  0
M  END
> <LM_ID>
LMFA08020085

> <COMMON_NAME>
Capsaicin

> <SYSTEMATIC_NAME>
8-Methyl-N-vanillyl-6E-nonenamide

> <FORMULA>
C18H27NO3

> <MASS>
305.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YKPUWZUDDOIDPM-SOFGYWHQSA-N

> <INCHI>
InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

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

> <KEGG_ID>
C06866

> <HMDB_ID>
HMDB0002227

> <CHEBI_ID>
3374

> <ABBREVIATION>
NA 18:5;O2

> <CAYMAN_ID>
92350

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1548943

> <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>
4071

> <CITATION>
-

$$$$