LMFA01040042
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   13.0982    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8244    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9612    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6874    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5505    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4135    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2767    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1397    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0029    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8659    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7290    7.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.8659    8.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2352    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6461    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7440    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7405    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5919    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091    8.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7866    7.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    7.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8324    0.0000 C   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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 19  1  0  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 11 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 17 23  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040042

> <COMMON_NAME>
methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-octadecadienoate

> <SYSTEMATIC_NAME>
methyl 10,12-epidioxy-13-hydroperoxy-8E,15Z-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>
OQTORMRWKPKCSO-XHISVFOESA-N

> <INCHI>
InChI=1S/C19H32O6/c1-3-4-9-13-17(23-21)18-15-16(24-25-18)12-10-7-5-6-8-11-14-19(20)22-2/h4,9-10,12,16-18,21H,3,5-8,11,13-15H2,1-2H3/b9-4-,12-10+

> <SMILES>
C1(OOC(C(OO)C/C=C\CC)C1)/C=C/CCCCCCC(=O)OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186141

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282877

> <LIPIDBANK_ID>
DFA8058

> <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>
-

$$$$