LMFA08020415
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
    2.1629   -1.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0289   -0.2461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1629   -0.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2968   -0.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308   -0.7462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5096   -1.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7203   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8518   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9833   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1148   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2464   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3780   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5096   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6411   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7727   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9043   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0358   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1673   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2989   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308    0.7462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4308   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
 13  6  2  0     0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 21 19  1  0  0  0  0
 21 20  2  0  0  0  0
  5 21  1  0  0  0  0
M  END
> <LM_ID>
LMFA08020415

> <COMMON_NAME>
lanyuamide I

> <SYSTEMATIC_NAME>
2'-hydroxy-N-(isobutyl)-8-oxo-tetradeca-2E,4E-dienamide

> <FORMULA>
C18H31NO2

> <MASS>
293.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-oxo-tetradeca-2,4-dienoic acid (2-hydroxy-2-methyl-propyl)amide

> <INCHI_KEY>
AMCKSJIHLFXIIZ-DQBULIGTSA-N

> <INCHI>
InChI=1S/C18H31NO2/c1-4-5-6-9-12-17(20)13-10-7-8-11-14-18(21)19-15-16(2)3/h7-8,11,14,16H,4-6,9-10,12-13,15H2,1-3H3,(H,19,21)/b8-7+,14-11+

> <SMILES>
CC(CNC(=O)/C=C/C=C/CCC(CCCCCC)=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318939

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
67937

> <CITATION>
-

$$$$