LMFA08020339
  LIPID_MAPS_STRUCTURE_DATABASE

 27 27  0     0  0            999 V2000
   -7.5419   -5.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5418   -4.2560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6742   -3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4094   -3.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2769   -4.2559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4093   -2.7534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8067   -4.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8067   -5.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9393   -3.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9393   -6.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3841   -6.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -17.9270   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.0595   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.1919   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3244   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4568   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5893   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7218   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8542   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9867   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1192   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2516   -5.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3841   -5.7099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  2  4  1  0     0  0
  4  5  1  0     0  0
  4  6  2  0     0  0
  3  7  1  0     0  0
  7  8  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11  7  2  0     0  0
  9 12  1  0     0  0
  8 13  2  0     0  0
 13  9  1  0     0  0
 13 14  1  0     0  0
 27  1  1  0     0  0
 27 15  2  0     0  0
 17 16  1  0     0  0
 18 17  1  0     0  0
 19 18  1  0     0  0
 20 19  1  0     0  0
 21 20  1  0     0  0
 22 21  1  0     0  0
 23 22  1  0     0  0
 24 23  1  0     0  0
 25 24  1  0     0  0
 26 25  1  0     0  0
 27 26  1  0     0  0
M  END
> <LM_ID>
LMFA08020339

> <COMMON_NAME>
Stieleriacine B1

> <SYSTEMATIC_NAME>
N-(dodecanoyl)-6-methyl-2,3-(Z)-dehydrotyrosine

> <FORMULA>
C22H33NO4

> <MASS>
375.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WJODOJHXITXKOU-MNDPQUGUSA-N

> <INCHI>
InChI=1S/C22H33NO4/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-19(22(26)27)16-18-13-14-20(24)17(2)15-18/h13-16,24H,3-12H2,1-2H3,(H,23,25)(H,26,27)/b19-16-

> <SMILES>
N(C(CCCCCCCCCCC)=O)/C(/C(=O)O)=C\C1=CC=C(C(C)=C1)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 22:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
169492299

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2795974

> <CITATION>
31524403

$$$$