LMFA01140109
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   -0.4308   -0.2488    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    0.7462    0.0000 O   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
   -2.1673   -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
   -3.9042   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6410   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5095   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3779   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2463   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1147   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9832   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8516   -0.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7200   -0.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7200   -1.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5861   -2.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4521   -1.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4521   -0.7463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.5860   -0.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8540   -2.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0     0  0
 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 16  2  0     0  0
 17 22  1  0     0  0
M  END
> <LM_ID>
LMFA01140109

> <COMMON_NAME>
Tripmycin A

> <SYSTEMATIC_NAME>
13-(2-methylphenyl)-12E-tridecenoic acid

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(E)-13-(O-tolyl)tridec-12-enoic acid

> <INCHI_KEY>
LRVODNVNRNARGX-XNTDXEJSSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-18-14-12-13-16-19(18)15-10-8-6-4-2-3-5-7-9-11-17-20(21)22/h10,12-16H,2-9,11,17H2,1H3,(H,21,22)/b15-10+

> <SMILES>
C(CCCCCCCCCC/C=C/C1=CC=CC=C1C)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196950

> <ABBREVIATION>
FA 20:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
146682603

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1931; 2748873

> <CITATION>
31847583; 37462318

$$$$