LMFA01040044
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   13.1228    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8551    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7212    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5872    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4533    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3194    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1856    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0515    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7838    7.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9176    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2568    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3909    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7928    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6498    8.3605    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
    6.9267    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9890    9.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3909    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8550    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248    6.3607    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  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 11 18  1  0  0  0  0
 17 19  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  3 22  1  0  0  0  0
 14 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040044

> <COMMON_NAME>
methyl 9,12-dihydroperoxy-10E,13E,15Z-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl 9,12-dihydroperoxy-10E,13E,15Z-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>
GIYLADJCFNKDBC-SWPGUSFKSA-N

> <INCHI>
InChI=1S/C19H32O6/c1-3-4-5-9-12-17(24-21)15-16-18(25-22)13-10-7-6-8-11-14-19(20)23-2/h4-5,9,12,15-18,21-22H,3,6-8,10-11,13-14H2,1-2H3/b5-4-,12-9+,16-15+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190111

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282879

> <LIPIDBANK_ID>
DFA8060

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

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

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

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$