LMFA01140098
  LIPID_MAPS_STRUCTURE_DATABASE

 20 20  0     0  0            999 V2000
    3.9410   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8090   -3.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410   -5.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0667   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1919   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3172   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4424   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4323   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1818   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0566   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9313   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6808   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5555   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4303   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3050   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1798   -4.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0545   -3.5233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6192   -2.7658    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  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 10 20  1  0     0  0
 11 20  1  0     0  0
M  END
> <LM_ID>
LMFA01140098

> <COMMON_NAME>
Adiantic acid

> <SYSTEMATIC_NAME>
7E-(2S-octylcyclopropylidene)heptanoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YFYDVMOBIGLYSP-YKBBIGDRSA-N

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-9-12-16-15-17(16)13-10-7-8-11-14-18(19)20/h13,16H,2-12,14-15H2,1H3,(H,19,20)/b17-13+/t16-/m0/s1

> <SMILES>
C(CCCCC/C=C1\C[C@@H]\1CCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119182

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
872337

> <CITATION>
33016135

$$$$