LMFA03080019
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0  0  0  0  0  0  0  0999 V2000
    5.0000    5.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4183    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2550    6.6962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4183    6.6962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9799    6.2778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9799    5.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7021    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7021    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5388    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9861    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7097    5.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2625    6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9861    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7097    6.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    6.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1257    5.6472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1510    6.2818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4334    7.3382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8326    7.4136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  5  1  0  0  0  0
  1  5  1  0  0  0  0
  6  4  1  0  0  0  0
  3  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  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
 10 16  1  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
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
  5 23  1  1  0  0  0
  4 23  1  1  0  0  0
M  END
> <LM_ID>
LMFA03080019

> <COMMON_NAME>
8S,9R-EpETrE

> <SYSTEMATIC_NAME>
8S,9R-epoxy-5Z,11Z,14Z-eicosatrienoic acid

> <FORMULA>
C20H32O3

> <MASS>
320.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Epoxyeicosatrienoic acids [FA0308]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8S,9R-EET

> <INCHI_KEY>
DBWQSCSXHFNTMO-ZZMPYBMWSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-12-15-18-19(23-18)16-13-10-11-14-17-20(21)22/h6-7,9-10,12-13,18-19H,2-5,8,11,14-17H2,1H3,(H,21,22)/b7-6-,12-9-,13-10-/t18-,19+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
132302

> <ABBREVIATION>
FA 20:4;O

> <CAYMAN_ID>
50351

> <SWISSLIPIDS_ID>
SLM:000501491

> <PUBCHEM_COMPOUND_ID>
40490656

> <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]; Epoxy fatty acids [FA0107]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$