LMFA03090016
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
   -0.4448   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4448   -0.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4448    0.7703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3409   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1338   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0303   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9268   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8232   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7197   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6162   -0.2569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5127   -0.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7045   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8080   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9116   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0151   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1186   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2221   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3257   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4292   -1.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5327   -2.1102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1528   -2.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5127   -1.7703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3778   -0.2689    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  2  0  0  0  0
 11 12  1  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
 13 22  1  6     0  0
 12 23  1  0     0  0
 23 13  1  0  0  0  0
 23 22  1  6     0  0
 12 24  1  0     0  0
M  END
> <LM_ID>
LMFA03090016

> <COMMON_NAME>
Hepoxilin B4

> <SYSTEMATIC_NAME>
10-hydroxy-11R,12S- epoxyeicosa-5Z,8Z,14Z,17Z-tetraenoic acid

> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBMDDWFJCHGNRL-CVCWIQEXSA-N

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

> <SMILES>
C(CCC/C=C\C/C=C\C(O)[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>
Epoxy fatty acids [FA0107]; Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
9913

> <CITATION>
3012585

$$$$