LMFA01040041
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   12.9297    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6470    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7884    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5058    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3645    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2232    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0819    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9406    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7993    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6581    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5167    7.8478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6581    9.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0710    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2124    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3538    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4952    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6365    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7779    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    8.3435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0971    9.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8932    9.3012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7779    6.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9193    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3753    8.3435    0.0000 C   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  1  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
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 21  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040041

> <COMMON_NAME>
methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate

> <SYSTEMATIC_NAME>
methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate

> <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>
ZXMQUTOSCPQVII-PTSVWTKZSA-N

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

> <SMILES>
C(/C=C/C1OOC(C(OO)CC)C1)=C\CCCCCCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282876

> <LIPIDBANK_ID>
DFA8057

> <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>
-

$$$$