LMFA03080028
  LIPID_MAPS_STRUCTURE_DATABASE

 34 34  0     0  0            999 V2000
    6.3106    1.6343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8317    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8317    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8177    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7105    2.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7105    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5859    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6000    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4772    1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3544    0.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2315    1.2607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1586    0.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4772    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3544    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2315    2.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1086    2.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9479    1.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7284    2.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1086    3.2898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0881   -0.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6639    0.6900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5139    1.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7091    0.2553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7081    0.3303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8815    1.5857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9795    0.3053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8294    0.3553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0424    1.5093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9964    1.6093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6565    1.6107    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9478    1.7649    0.0000 H   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  2  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  1  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
  9 23  1  0  0  0  0
 11 23  1  0  0  0  0
 20 24  1  0     0  0
 20 25  1  0     0  0
 15 26  1  0     0  0
 15 27  1  0     0  0
 14 28  1  0     0  0
 13 29  1  0     0  0
 13 30  1  0     0  0
 12 31  1  0     0  0
 12 32  1  0     0  0
 14 33  1  0     0  0
 20 34  1  0     0  0
M  ISO  8  24   2  25   2  26   2  27   2  28   2  29   2  30   2  31   2
M  ISO  3  32   2  33   2  34   2
M  END
> <LM_ID>
LMFA03080028

> <COMMON_NAME>
(+/-)14,15-EpETrE-d11

> <SYSTEMATIC_NAME>
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11 acid

> <FORMULA>
C20H21D11O3

> <MASS>
331.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Epoxyeicosatrienoic acids [FA0308]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(±)14,15-EET-d11

> <INCHI_KEY>
JBSCUHKPLGKXKH-LNTVGFLJSA-N

> <INCHI>
InChI=1S/C20H32O3/c1-2-3-12-15-18-19(23-18)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-7,9-10,13,18-19H,2-3,5,8,11-12,14-17H2,1H3,(H,21,22)/b6-4-,9-7-,13-10-/i1D3,2D2,3D2,12D2,15D2

> <SMILES>
C(/C=C\C/C=C\CCCC(=O)O)/C=C\CC1OC1C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10006410

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <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>
32630

> <CITATION>
-

$$$$