LMFA01060222
  LIPID_MAPS_STRUCTURE_DATABASE

 15 14  0     0  0            999 V2000
   -0.4398   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4398   -0.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4398    0.7619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3261   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2127   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0992   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9858   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8724   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7590   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6456   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5322   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4188   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3054   -0.2540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1920   -0.7619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0580   -0.2619    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
M  END
> <LM_ID>
LMFA01060222

> <COMMON_NAME>
12-oxo-dodeca-5,8,10-trienoic acid

> <SYSTEMATIC_NAME>
12-oxo-dodeca-(5Z,8Z,10E)-trienoic acid

> <FORMULA>
C12H16O3

> <MASS>
208.11

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZRIOISYGDYRQIK-RHYRGYLPSA-N

> <INCHI>
InChI=1S/C12H16O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h2-5,7,9,11H,1,6,8,10H2,(H,14,15)/b4-2-,5-3-,9-7+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193314

> <ABBREVIATION>
FA 12:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10081783

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Branched fatty acids [FA0102]; Hydroxy fatty acids [FA0105]; Carbocyclic fatty acids [FA0114]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
3218

> <CITATION>
19268690

$$$$