LMFA01040061
  LIPID_MAPS_STRUCTURE_DATABASE

 29 30  0     0  0            999 V2000
   14.5984    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3060    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4522    7.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1598    7.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0138    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8676    7.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7215    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5753    7.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4292    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2830    7.8058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1369    7.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2830    8.7916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7445    7.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8908    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0370    7.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1832    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3294    7.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4756    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6218    7.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7681    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143    7.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.3127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5613    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7586    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9998    8.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1970    8.7580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8676    8.7915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7214    9.2844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9906    7.8057    0.0000 C   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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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
  2 23  1  0  0  0  0
  5 24  1  0  0  0  0
 23 24  1  0  0  0  0
 13 25  1  0  0  0  0
  3 26  1  0  0  0  0
 25 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040061

> <COMMON_NAME>
methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate

> <SYSTEMATIC_NAME>
methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate

> <FORMULA>
C21H34O8

> <MASS>
414.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBEKWAFMLDTVLC-MFDVASPDSA-N

> <INCHI>
InChI=1S/C21H34O8/c1-3-4-5-6-7-8-9-11-16-14-18(27-26-16)20-15-19(28-29-20)17(25-23)12-10-13-21(22)24-2/h7-9,11,16-20,23H,3-6,10,12-15H2,1-2H3/b8-7+,11-9+

> <SMILES>
C1C(OOC1C1OOC(C(OO)CCCC(=O)OC)C1)/C=C/C=C/CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
169095

> <ABBREVIATION>
FA 21:4;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282894

> <LIPIDBANK_ID>
DFA8094

> <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>
-

$$$$