LMFA01030331
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0  0  0  0  0  0  0  0999 V2000
   21.1885    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0714    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1885    7.6871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2989    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4091    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5191    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6293    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7394    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8494    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9597    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0697    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1799    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2899    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4000    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5102    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6203    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7303    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8405    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9505    6.8707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  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
 12 13  1  0  0  0  0
 13 14  2  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
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030331

> <COMMON_NAME>
Cilienic acid

> <SYSTEMATIC_NAME>
6Z,11Z-octadecadienoic acid

> <FORMULA>
C18H32O2

> <MASS>
280.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Unsaturated fatty acids [FA0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
C18:2n-7,12; (6Z,11Z)-octa-deca-6,11-di-enoic acid

> <INCHI_KEY>
RTJZUCGIUVBZCN-QOTUMQCOSA-N

> <INCHI>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8,12-13H,2-6,9-11,14-17H2,1H3,(H,19,20)/b8-7-,13-12-

> <SMILES>
C(CCCC/C=C\CCC/C=C\CCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196557

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312482

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5908; 1163034

> <CITATION>
117840; 12691847

$$$$