LMFA01030323
  LIPID_MAPS_STRUCTURE_DATABASE

 20 19  0     0  0            999 V2000
   21.1882    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0711    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.1882    7.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2986    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4088    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5188    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6290    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7392    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8492    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9594    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0695    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1797    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3999    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5100    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6201    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7302    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8404    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504    6.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.3606    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  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
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMFA01030323

> <COMMON_NAME>
Sebaleic acid

> <SYSTEMATIC_NAME>
5Z,8Z-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-10,13

> <INCHI_KEY>
UQQPKQIHIFHHKO-XVTLYKPTSA-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/h10-11,13-14H,2-9,12,15-17H2,1H3,(H,19,20)/b11-10-,14-13-

> <SMILES>
C(CCC/C=C\C/C=C\CCCCCCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
194480

> <ABBREVIATION>
FA 18:2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5312474

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Octadecanoids [FA02]

> <ALT_SUB_CLASSES>


> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
5766855

$$$$