LMFA04060001
  LIPID_MAPS_STRUCTURE_DATABASE

 28 28  0     0  0            999 V2000
    3.0811   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9459    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6756    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5405   -0.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6756    1.4550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0825   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3530   -0.8666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5119    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3766   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2414    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9711    0.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8358   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8344   -0.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9830    1.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7703    1.4210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5405   -0.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8344   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8358   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9711   -0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1077   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2428   -0.9557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3780   -1.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2178   -1.3659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  4  6  2  0     0  0
  1  7  2  0     0  0
  8  7  1  0     0  0
  9  8  1  0     0  0
  9 10  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 13 18  1  0     0  0
 11 19  1  0     0  0
 18 19  1  0     0  0
 17 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 10 28  1  0     0  0
M  END
> <LM_ID>
LMFA04060001

> <COMMON_NAME>
(Z)-7-(5-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-1,2-dioxolan-3-yl)-7-hydroperoxyhept-4-enoic acid

> <SYSTEMATIC_NAME>
(Z)-7-(5-((1E,3E,6Z,9Z)-dodeca-1,3,6,9-tetraen-1-yl)-1,2-dioxolan-3-yl)-7-hydroperoxyhept-4-enoic acid

> <FORMULA>
C22H32O6

> <MASS>
392.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Docosa-1,2-dioxolanes [FA0406]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OIPKWLXLRXRCOU-MJWAYRHDSA-N

> <INCHI>
InChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-12-15-19-18-21(28-27-19)20(26-25)16-13-11-14-17-22(23)24/h3-4,6-7,9-13,15,19-21,25H,2,5,8,14,16-18H2,1H3,(H,23,24)/b4-3-,7-6-,10-9+,13-11-,15-12+

> <SMILES>
C(=C/CC(C1OOC(/C=C/C=C/C/C=C\C/C=C\CC)C1)OO)/CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197049

> <ABBREVIATION>
FA 22:6;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
126457327

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$