LMFA00000053
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
    2.9940   -8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8560   -8.5215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9940   -7.0285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1257   -8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2570   -8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2177   -8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0863   -8.5215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -8.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8237   -8.5215    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9550   -7.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6880   -8.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5557   -8.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6846   -7.0185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4200   -8.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2878   -8.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1521   -8.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0198   -8.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8841   -8.0006    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
 11 13  2  0     0  0
 12 14  1  0     0  0
 14 15  1  0     0  0
 14 16  2  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 13 16  1  0     0  0
M  END
> <LM_ID>
LMFA00000053

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8-(5-Hexylthiophen-2-yl)octanoic acid

> <FORMULA>
C18H30O2S

> <MASS>
310.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Other Fatty Acyls [FA00]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IPHMYTYOJLRBNJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H30O2S/c1-2-3-4-8-11-16-14-15-17(21-16)12-9-6-5-7-10-13-18(19)20/h14-15H,2-13H2,1H3,(H,19,20)

> <SMILES>
C(CCCCCCCC1=CC=C(CCCCCC)S1)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163109791

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
4682

> <CITATION>
-

$$$$