LMFA01040049
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   13.1226    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8548    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9888    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7209    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5870    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4530    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3191    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1852    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0513    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9174    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7835    7.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.9174    9.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3906    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6495    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3906    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5246    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6586    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1226    6.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6585    9.8603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2567    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  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
 11 15  1  0  0  0  0
 14 16  2  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
  1 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>
LMFA01040049

> <COMMON_NAME>
methyl 10,16-dihydroperoxy-8E,12Z,14E-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl 10,16-dihydroperoxy-8E,12Z,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>
VSFQDXUQTUGXLX-KKNMDFSBSA-N

> <INCHI>
InChI=1S/C19H32O6/c1-3-17(24-21)13-10-8-11-15-18(25-22)14-9-6-4-5-7-12-16-19(20)23-2/h8-11,13-14,17-18,21-22H,3-7,12,15-16H2,1-2H3/b11-8-,13-10+,14-9+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282884

> <LIPIDBANK_ID>
DFA8065

> <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>
-

$$$$