LMFA02000251
  LIPID_MAPS_STRUCTURE_DATABASE

 21 20  0     0  0            999 V2000
   12.9885    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8546    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5867    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4528    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3188    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1849    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0509    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9170    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6492    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7830    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1226    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2565    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3905    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.8606    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
   13.8546    7.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 10 12  2  0  0  0  0
 13  1  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  3 21  2  0  0  0  0
M  END
> <LM_ID>
LMFA02000251

> <COMMON_NAME>
9-OxoODE

> <SYSTEMATIC_NAME>
9-oxo-10E,12E-octadecadienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
10(E),12(E)-9-oxo-ODE

> <INCHI_KEY>
LUZSWWYKKLTDHU-SIGMCMEVSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-8-11-14-17(19)15-12-9-7-10-13-16-18(20)21/h6,8,11,14H,2-5,7,9-10,12-13,15-16H2,1H3,(H,20,21)/b8-6+,14-11+

> <SMILES>
C(=C/C=C/CCCCC)\C(=O)CCCCCCCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72843

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
10685

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283011

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
112408; 4081

> <CITATION>
21462326

$$$$