LMFA01140020
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0  0  0  0  0  0  0  0999 V2000
   17.4796   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6105   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7412   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8719   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0027   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1335   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1297   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2604   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5218   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6527   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7833   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9141   -7.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4796   -6.2738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3490   -7.7794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0447   -7.2776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1279   -7.6857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4562   -6.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9581   -6.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9399   -6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8443   -6.8115    0.0000 H   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
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
  1 14  2  0     0  0
  1 15  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  2  0     0  0
 16 20  1  0     0  0
 13 16  1  0     0  0
 16 21  1  1     0  0
M  END
> <LM_ID>
LMFA01140020

> <COMMON_NAME>
Gorlic acid

> <SYSTEMATIC_NAME>
13-[(1R)-2-Cyclopenten-1-yl]-6Z-tridecenoic acid

> <FORMULA>
C18H30O2

> <MASS>
278.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XADKGDBMULSEAC-MMTGSJLXSA-N

> <INCHI>
InChI=1S/C18H30O2/c19-18(20)16-10-8-6-4-2-1-3-5-7-9-13-17-14-11-12-15-17/h2,4,11,14,17H,1,3,5-10,12-13,15-16H2,(H,19,20)/b4-2-/t17-/m0/s1

> <SMILES>
C(O)(=O)CCCC/C=C\CCCCCC[C@@]1([H])C=CCC1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
61676

> <ABBREVIATION>
FA 18:3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
51351687

> <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>
312426

> <CITATION>
-

$$$$