LMFA01040045
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   12.9889    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7211    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5873    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4534    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3194    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1856    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0516    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9177    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7838    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6499    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7838    9.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1229    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2569    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3909    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5158    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8550    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7211    9.8606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9268    6.3608    0.0000 O   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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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
 11 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040045

> <COMMON_NAME>
methyl 9,16-dihydroperoxy-10E,12,14E-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl 9,16-dihydroperoxy-10E,12,14E-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>
UCGDFIITNRZSQM-CQKWMTPNSA-N

> <INCHI>
InChI=1S/C19H32O6/c1-3-17(24-21)13-9-7-8-11-15-18(25-22)14-10-5-4-6-12-16-19(20)23-2/h7-9,11,13,15,17-18,21-22H,3-6,10,12,14,16H2,1-2H3/b8-7+,13-9+,15-11+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 19:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282880

> <LIPIDBANK_ID>
DFA8061

> <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>
-

$$$$