LMFA08020317
  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
   12.9888    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
   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 19  1  0     0  0
  5 18  1  0     0  0
 18  6  1  0     0  0
  7  8  1  0     0  0
  8 17  1  0     0  0
 17 20  1  0     0  0
 20  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  1  0     0  0
 14 16  1  0     0  0
 16 15  1  0     0  0
 20 21  2  0     0  0
M  END
> <LM_ID>
LMFA08020317

> <COMMON_NAME>
Nonivamide

> <SYSTEMATIC_NAME>
N-vanillyl-nonamide

> <FORMULA>
C17H27NO3

> <MASS>
293.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
pelargonic acid vanillylamide; PAVA

> <INCHI_KEY>
RGOVYLWUIBMPGK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
46936

> <ABBREVIATION>
NA 17:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
2998

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4071

> <CITATION>
-

$$$$