LMFA08020344
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
   -7.5431   -5.2587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5430   -4.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6753   -3.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4108   -3.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2784   -4.2566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4107   -2.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8077   -4.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8077   -5.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0725   -5.2588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0725   -4.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9401   -3.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047   -5.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9401   -5.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3855   -6.7128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3269   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4592   -5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5915   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7239   -5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8561   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9885   -5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1209   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2531   -5.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3855   -5.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4592   -4.2099    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
 23  1  1  0     0  0
 23 14  2  0     0  0
 16 15  1  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
 16 24  1  0     0  0
M  END
> <LM_ID>
LMFA08020344

> <COMMON_NAME>
Thalassotalic acid B

> <SYSTEMATIC_NAME>
N-(8-methyl-nonanoyl)-2,3-(Z)-dehydrotyrosine

> <FORMULA>
C19H27NO4

> <MASS>
333.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SSNQNYQKPDUFGG-LGMDPLHJSA-N

> <INCHI>
InChI=1S/C19H27NO4/c1-14(2)7-5-3-4-6-8-18(22)20-17(19(23)24)13-15-9-11-16(21)12-10-15/h9-14,21H,3-8H2,1-2H3,(H,20,22)(H,23,24)/b17-13-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 19:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127050171

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1742724

> <CITATION>
31524403

$$$$