LMFA03090018
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   20.0758   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9539   -6.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0758   -5.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1912   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3063   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4213   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5364   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6514   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7665   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8816   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9966   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1117   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4568   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5718   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6869   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8019   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0320   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1470   -6.6855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2621   -6.1786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3417   -5.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8816   -5.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2267   -7.6855    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  2  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  2  0  0  0  0
 12 13  1  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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 14 23  1  0     0  0
 10 24  1  0     0  0
 13 25  1  0     0  0
M  END
> <LM_ID>
LMFA03090018

> <COMMON_NAME>
Trioxilin A4

> <SYSTEMATIC_NAME>
8,11,12-trihydroxy-5Z,9E,14Z,17Z-eicosatetraenoic acid

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GWRXSUUNZUWJCL-VZJNBGJCSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h3-4,6-7,9-10,15-19,21-23H,2,5,8,11-14H2,1H3,(H,24,25)/b4-3-,9-7-,10-6-,16-15+

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <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>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
9913

> <CITATION>
3012585

$$$$