LMFA01040040
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   12.9647    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6909    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8278    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5540    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4170    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2801    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1432    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0064    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8694    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7325    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5956    7.3342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7325    8.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1017    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2386    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3757    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5126    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6497    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7866    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236    7.8325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8278    8.8289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6907    9.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6106    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6071    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4585    7.8323    0.0000 C   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  1  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
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 14 23  1  0  0  0  0
  1 24  1  0  0  0  0
 11 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040040

> <COMMON_NAME>
methyl 9-hydroperoxy-10,12-epidioxy-13,15-octadecadienoate

> <SYSTEMATIC_NAME>
methyl 9-hydroperoxy-10,12-epidioxy-13,15-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>
RLEJYTIPIQLNLV-OWZSENBOSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282875

> <LIPIDBANK_ID>
DFA8056

> <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>
-

$$$$