LMFA01040039
  LIPID_MAPS_STRUCTURE_DATABASE

 23 22  0     0  0            999 V2000
   14.9892    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1230    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8552    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7212    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5875    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4535    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3196    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1857    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0518    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9179    6.3608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0518    7.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7839    6.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1230    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2570    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3910    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3910    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5249    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7928    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9268    6.8608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    6.3609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6589    7.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248    8.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  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
  9 11  2  0  0  0  0
 10 12  1  0  0  0  0
  2 13  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  2  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  2  0  0  0  0
 21 20  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMFA01040039

> <COMMON_NAME>
methyl 15-hydroperoxy-9Z,12Z,16E-octadecatrienoate

> <SYSTEMATIC_NAME>
methyl 15-hydroperoxy-9Z,12Z,16E-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>
GSDDTQBCPWWRBN-GWENILSLSA-N

> <INCHI>
InChI=1S/C19H32O4/c1-3-15-18(23-21)16-13-11-9-7-5-4-6-8-10-12-14-17-19(20)22-2/h3,5,7,11,13,15,18,21H,4,6,8-10,12,14,16-17H2,1-2H3/b7-5-,13-11-,15-3+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186941

> <ABBREVIATION>
FA 19:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5282874

> <LIPIDBANK_ID>
DFA8055

> <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>
-

$$$$