LMFA04000112
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   -0.4473   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4473   -0.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4473    0.7747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3484   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2500   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1516   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0531   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9547   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8562   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7578   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6593   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5609   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4624   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3640   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2655   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1671   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0685   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9702   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8718   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.7733   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.6749   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.5764   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.4780   -0.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.3795   -0.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3070    0.5225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
  9 25  1  0     0  0
 10 25  1  0     0  0
M  END
> <LM_ID>
LMFA04000112

> <COMMON_NAME>
(+/-)7(8)-EpDTE

> <SYSTEMATIC_NAME>
7,8-epoxydocosa-7Z,10Z,13Z,16Z-tetraenoic acid

> <FORMULA>
C22H34O3

> <MASS>
346.25

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(+/-)7(8)-EpDoTE;  3-2Z,5Z,8Z,11Z-tetradecatetraen-1-yl-2-oxiranehexanoic acid

> <INCHI_KEY>
BHODHHIOZSFCBJ-NEDCVQLASA-N

> <INCHI>
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-21(25-20)18-15-13-16-19-22(23)24/h3-4,6-7,9-10,12,14,20-21H,2,5,8,11,13,15-19H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,14-12-

> <SMILES>
C(CCCCCC1OC1C/C=C\C/C=C\C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:5;O

> <CAYMAN_ID>
20326

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168013020

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Epoxy fatty acids [FA0107]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
10116

> <CITATION>
6232277

$$$$