LMFA03080027
  LIPID_MAPS_STRUCTURE_DATABASE

 34 34  0     0  0            999 V2000
    3.6401  -10.3504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2046   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3119   -9.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3119  -10.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2864   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2864  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3920  -10.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3686  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3451  -10.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3216  -11.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3920   -9.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3686   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3451   -9.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3216   -9.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3117  -10.8172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2899   -9.9331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3216   -8.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9844  -10.3408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8219  -11.7562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0564  -11.8198    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8819  -10.2734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8541  -10.2852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7157  -11.8004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1272  -11.8510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9753  -10.4696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1122  -11.3443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0432  -10.3521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8418  -10.2947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7690   -8.3962    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
 12 23  1  0     0  0
 13 24  1  0     0  0
 13 25  1  0     0  0
 14 26  1  0     0  0
 14 27  1  0     0  0
 15 28  1  0     0  0
 15 29  1  0     0  0
 20 30  1  0     0  0
 20 31  1  0     0  0
 20 32  1  0     0  0
 12 33  1  0     0  0
  4 34  1  0     0  0
  5 34  1  0     0  0
M  ISO  8  23   2  24   2  25   2  26   2  27   2  28   2  29   2  30   2
M  ISO  3  31   2  32   2  33   2
M  END
> <LM_ID>
LMFA03080027

> <COMMON_NAME>
(+/-)8,9-EpETrE-d11

> <SYSTEMATIC_NAME>
(+/-)8(9)-epoxy-5Z,11Z,14Z-eicosatrienoic-16,16,17,17,18,18,19,19,20,20,20-d11

> <FORMULA>
C20H21D11O3

> <MASS>
331.30

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Epoxyeicosatrienoic acids [FA0308]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8(9)-EET-d11

> <INCHI_KEY>
DBWQSCSXHFNTMO-BCEMLEMNSA-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-/i1D3,2D2,3D2,4D2,5D2

> <SMILES>
C(C1OC1C/C=C\CCCC(=O)O)/C=C\C/C=C\C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])[2H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10009532

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71684592

> <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>
-

$$$$