LMFA01040046
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   14.8549    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9888    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7210    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5871    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4532    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3193    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1855    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0515    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7838    7.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6496    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9888    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1227    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2568    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    7.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3907    6.8605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    9.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    9.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
  2 13  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  2  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
 16 22  1  0  0  0  0
 19 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040046

> <COMMON_NAME>
methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl 13,16-dihydroperoxy-9Z,11E,14E-octadecatrienoate

> <FORMULA>
C19H32O6

> <MASS>
356.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VLSAMZWSXZHGGX-QWMFKHGWSA-N

> <INCHI>
InChI=1S/C19H32O6/c1-3-17(24-21)15-16-18(25-22)13-11-9-7-5-4-6-8-10-12-14-19(20)23-2/h7,9,11,13,15-18,21-22H,3-6,8,10,12,14H2,1-2H3/b9-7-,13-11+,16-15+

> <SMILES>
C(CCCCCCC(=O)OC)/C=C\C=C\C(OO)/C=C/C(OO)CC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282881

> <LIPIDBANK_ID>
DFA8062

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

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Octadecanoids [FA02]; Fatty esters [FA07]

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$