LMFA01140085
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0     0  0            999 V2000
   13.6654   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5314   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3974   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2636   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1296   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9956   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8616   -4.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9956   -2.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7994   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7994   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9333   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0673   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0673   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9333   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0673   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2013   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3353   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2013   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  5  4  1  0     0  0
  6  8  2  0     0  0
  1  9  1  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 10 14  2  0     0  0
 13 14  1  0     0  0
 13 15  1  0     0  0
 12 16  1  0     0  0
 15 16  1  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 20 16  1  0     0  0
M  END
> <LM_ID>
LMFA01140085

> <COMMON_NAME>
6-[1]-ladderane hexanoic acid

> <SYSTEMATIC_NAME>
6-[1]-ladderane hexanoic acid

> <FORMULA>
C18H26O2

> <MASS>
274.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18-[1]-ladderane fatty acid

> <INCHI_KEY>
ATCCBQYAUWNJQL-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H26O2/c19-18(20)9-3-1-2-6-13-10-11-16-14-7-4-5-8-15(14)17(16)12-13/h5,8,10-11,13-17H,1-4,6-7,9,12H2,(H,19,20)

> <SMILES>
C(C1CC2C3C=CCCC3C2C=C1)CCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137323824

> <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>
1127830

> <CITATION>
16098207

$$$$