LMFA08020345
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   -7.5438   -5.2592    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5437   -4.2571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6759   -3.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4116   -3.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2793   -4.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4115   -2.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8082   -4.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8082   -5.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729   -5.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0729   -4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9406   -3.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2050   -5.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9406   -5.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3863   -6.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3283   -5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.4605   -5.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5928   -5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7251   -5.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8572   -5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9895   -5.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1218   -5.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2540   -5.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3863   -5.7113    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
M  END
> <LM_ID>
LMFA08020345

> <COMMON_NAME>
Thalassotalic acid C

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

> <FORMULA>
C18H25NO4

> <MASS>
319.18

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty amides [FA08]

> <SUB_CLASS>
N-acyl amines [FA0802]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AHZLBFGDTXIKKL-SSZFMOIBSA-N

> <INCHI>
InChI=1S/C18H25NO4/c1-2-3-4-5-6-7-8-17(21)19-16(18(22)23)13-14-9-11-15(20)12-10-14/h9-13,20H,2-8H2,1H3,(H,19,21)(H,22,23)/b16-13-

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
NA 18:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127051306

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1742724

> <CITATION>
31524403

$$$$