LMFA01040038
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   13.2563    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9885    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1223    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8544    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7205    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5866    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4527    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3186    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1848    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0508    8.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9169    7.8602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0508    9.3603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3904    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5243    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7828    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2563    6.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3905    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5243    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6584    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7925    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7925    7.8602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9264    8.3602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0605    7.8602    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
 11 15  1  0  0  0  0
  1 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 21  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040038

> <COMMON_NAME>
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate

> <FORMULA>
C19H32O4

> <MASS>
324.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Hydroperoxy fatty acids [FA0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZABNNCYXIODDU-UNABKFHLSA-N

> <INCHI>
InChI=1S/C19H32O4/c1-3-4-5-6-9-12-15-18(23-21)16-13-10-7-8-11-14-17-19(20)22-2/h4-5,9,12-13,16,18,21H,3,6-8,10-11,14-15,17H2,1-2H3/b5-4-,12-9-,16-13+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187053

> <ABBREVIATION>
FA 19:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282873

> <LIPIDBANK_ID>
DFA8054

> <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>
-

$$$$