LMFA01060073
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   14.8547    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5868    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7207    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4528    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3189    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1849    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0510    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9171    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7832    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6493    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5153    7.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6493    8.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9886    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9886    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2566    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5245    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    6.3606    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  1  0  0  0  0
 13 14  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  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
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 17 23  2  0  0  0  0
M  END
> <LM_ID>
LMFA01060073

> <COMMON_NAME>
15-OxoEDE

> <SYSTEMATIC_NAME>
15-oxo-11Z,13E-eicosadienoic acid

> <FORMULA>
C20H34O3

> <MASS>
322.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Oxo fatty acids [FA0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QZCMHXPXGACWLJ-QWAPPMFBSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
72844

> <ABBREVIATION>
FA 20:3;O

> <CAYMAN_ID>
37730

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283013

> <LIPIDBANK_ID>
DFA8155

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
3806609

$$$$