LMFA03090002
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0     0  0            999 V2000
   10.4562   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3221   11.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1882   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0542   11.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9202   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9202    9.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7862   11.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4562   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5901   11.0318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7240   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240    9.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7240    8.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2240    7.9337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7240    7.0677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4312    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2972    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2972    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1632    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0293    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8953    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7614    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6273    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7581   10.7906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2240    7.9337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.9372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  1  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 15  1  0  0  0  0
 16 17  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 10 23  1  4  0  0  0
 13 24  1  1  0  0  0
 14 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03090002

> <COMMON_NAME>
Trioxilin A3

> <SYSTEMATIC_NAME>
8,11R,12S-trihydroxy-5Z,9E,14Z-eicosatrienoic acid

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hepoxilins [FA0309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WPLPEZUSILBTGP-CIQDQOFUSA-N

> <INCHI>
InChI=1S/C20H34O5/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/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/b9-7-,10-6-,16-15+/t17?,18-,19+/m0/s1

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

> <KEGG_ID>
C14809

> <HMDB_ID>
HMDB0001977

> <CHEBI_ID>
36203

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
SLM:000000987

> <PUBCHEM_COMPOUND_ID>
5283208

> <LIPIDBANK_ID>
XPR5011

> <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>
10116

> <CITATION>
6406490

$$$$