LMFA04000117
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   18.2146   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0964   -5.9829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2146   -4.4557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3264   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4377   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5491   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6605   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7718   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8832   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9945   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1059   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2173   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3286   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5514   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6627   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7741   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8854   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9968   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1082   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2195   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3309   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4422   -5.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464   -5.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1071   -4.7043    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  2  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  1  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  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 15 25  1  0     0  0
 16 25  1  0     0  0
M  END
> <LM_ID>
LMFA04000117

> <COMMON_NAME>
(+/-)13,14-EDT

> <SYSTEMATIC_NAME>
13,14-epoxy-7Z,10Z,16Z-docosatrienoic acid

> <FORMULA>
C22H36O3

> <MASS>
348.27

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Other Docosanoids [FA0400]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
rel-12-[(2R,3S)-3-(2Z)-2-octen-1-yl-2-oxiranyl]-7Z,10Z-dodecadienoic acid; (+/-)-Dihomo-13,14-EET; (+/-)13,14-EpDoTrE; (+/-)13,14-Epoxydocosatrienoic Acid

> <INCHI_KEY>
UVNNQFJWBKVIOH-AIVBDBLXSA-N

> <INCHI>
InChI=1S/C22H36O3/c1-2-3-4-5-11-14-17-20-21(25-20)18-15-12-9-7-6-8-10-13-16-19-22(23)24/h6-7,11-12,14-15,20-21H,2-5,8-10,13,16-19H2,1H3,(H,23,24)/b7-6-,14-11-,15-12-

> <SMILES>
C(CCCCC/C=C\C/C=C\CC1OC1C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 22:4;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
33748630

$$$$