LMFA01140083
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
   11.0673   -3.8500    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
   12.7994   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   16.2635   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1295   -4.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9955   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8615   -4.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9955   -2.8500    0.0000 O   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
   10.2013   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3353   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3353   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2013   -4.3500    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
    7.4692   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -2.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6032   -3.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4692   -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
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  4  3  1  0     0  0
  8  7  1  0     0  0
  9 11  2  0     0  0
  1 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16  1  1  0     0  0
 14 17  1  0     0  0
 15 18  1  0     0  0
 18 17  1  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 18  1  0     0  0
M  END
> <LM_ID>
LMFA01140083

> <COMMON_NAME>
8-[1]-ladderane octanoic acid

> <SYSTEMATIC_NAME>
8-[1]-ladderane octanoic 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>
C20-[1]-ladderane fatty acid

> <INCHI_KEY>
YXIWYGQKTGFZLE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H30O2/c21-20(22)11-5-3-1-2-4-8-15-12-13-18-16-9-6-7-10-17(16)19(18)14-15/h7,10,12-13,15-19H,1-6,8-9,11,14H2,(H,21,22)

> <SMILES>
C1(CC2C3C=CCCC3C2C=C1)CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
137323822

> <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

$$$$