LMFA03090017
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
   -0.4395   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4395   -0.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4395    0.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3248   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2107   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9822   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8680   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7539   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6398   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5254   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4113   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2971   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1829   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0686   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9544   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8402   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7261   -0.7611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6117   -0.2538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.4473   -0.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6398    0.7611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1794   -1.2746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -16.3181   -0.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.1926   -0.3267    0.0000 C   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
 10 21  1  0  0  0  0
 14 22  1  6     0  0
 13 22  1  6     0  0
 20 23  1  0     0  0
 23 24  1  0     0  0
M  END
> <LM_ID>
LMFA03090017

> <COMMON_NAME>
Hepoxilin A4

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

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
HXA4

> <INCHI_KEY>
GBSGALHVICSTLU-JHORJHIGSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h3-4,6-7,9-10,15-19,21H,2,5,8,11-14H2,1H3,(H,22,23)/b4-3-,9-7-,10-6-,16-15+/t17?,18-,19-/m0/s1

> <SMILES>
C(CCC/C=C\CC(O)/C=C/[C@@H]1O[C@H]1C/C=C\C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

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

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

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]; Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9913

> <CITATION>
3012585

$$$$