LMFA03050014
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   14.6571    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3765    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5167    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0959    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9556    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8152    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6750    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5348    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3944    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2541    7.3193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3944    8.8084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7974    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9377    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0781    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2185    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3588    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6395    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7798    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9202    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1138    7.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8389    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6333    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9556    8.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8152    9.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3588    8.8083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2183    9.3045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  1  2  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
 14 13  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
 11 23  1  0  0  0  0
  5 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 24  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
 17 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050014

> <COMMON_NAME>
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

> <SYSTEMATIC_NAME>
methyl 6,8-epidioxy-5,15-dihydroperoxy-9,11,13-eicosatrienoate

> <FORMULA>
C21H34O8

> <MASS>
414.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AWZPWRYFAAHRSV-NABOWOGOSA-N

> <INCHI>
InChI=1S/C21H34O8/c1-3-4-7-11-17(26-23)12-8-5-6-9-13-18-16-20(29-28-18)19(27-24)14-10-15-21(22)25-2/h5-6,8-9,12-13,17-20,23-24H,3-4,7,10-11,14-16H2,1-2H3/b6-5+,12-8+,13-9+

> <SMILES>
C(/C=C/C=C/C(OO)CCCCC)=C\C1OOC(C(OO)CCCC(=O)OC)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178474

> <ABBREVIATION>
FA 21:4;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283151

> <LIPIDBANK_ID>
DFA8093

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty esters [FA07]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Short fatty esters [FA0710]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$