LMFA03090003
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    7.7221    8.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1240    7.7591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2888    9.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4893    9.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7060    7.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5050    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    7.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4064    7.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4642    6.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5221    7.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5800    6.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6380    7.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6958    6.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0152    8.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8510    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8153    9.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7999    8.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6343    9.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7049    8.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5605    9.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5639    9.8270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4960    8.4343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2871    7.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  2  0  0  0  0
  4  1  1  0  0  0  0
  2  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  1  0  0  0  0
 12 13  1  0  0  0  0
  3 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  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
  5 23  1  6  0  0  0
  2 23  1  6  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMFA03090003

> <COMMON_NAME>
Hepoxilin B3

> <SYSTEMATIC_NAME>
10-hydroxy-11S,12S-epoxy-5Z,8Z,14Z-eicosatrienoic acid

> <FORMULA>
C20H32O4

> <MASS>
336.23

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
HXB3

> <INCHI_KEY>
DWNBPRRXEVJMPO-RNGYDEEPSA-N

> <INCHI>
InChI=1S/C20H32O4/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/h6-7,9,11-12,14,17-18,20-21H,2-5,8,10,13,15-16H2,1H3,(H,22,23)/b7-6-,12-9-,14-11-/t17?,18-,20-/m0/s1

> <SMILES>
C(O)(/C=C\C/C=C\CCCC(O)=O)[C@@H]1O[C@H]1C/C=C\CCCCC

> <KEGG_ID>
C14810

> <HMDB_ID>
HMDB04690

> <CHEBI_ID>
34784

> <ABBREVIATION>
FA 20:4;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16759353

> <LIPIDBANK_ID>
XPR5101

> <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>
9606; 189639

> <CITATION>
523677; 2180942

$$$$