LMFA03050034
  LIPID_MAPS_STRUCTURE_DATABASE

 35 34  0     0  0            999 V2000
    3.7947   -7.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5010   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3635   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -7.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4870   -8.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4689   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6066   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6066   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5906   -8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5586   -8.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5426   -8.7880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5906   -7.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5586   -7.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5426   -6.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5403   -8.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5184   -7.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5426   -5.9448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1876   -7.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0238   -9.2186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2677   -9.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0919   -7.7244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0715   -7.7363    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9321   -9.2632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3544   -9.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2090   -7.9221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3470   -8.8036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2698   -7.8037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0362   -7.7459    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2075   -9.7607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8668   -9.7610    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  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
 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
  9 34  1  0     0  0
 11 35  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>
LMFA03050034

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

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

> <FORMULA>
C20H23D11O4

> <MASS>
349.31

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SYAWGTIVOGUZMM-LNTVGFLJSA-N

> <INCHI>
InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/b6-4-,9-7-,13-10-/i1D3,2D2,3D2,12D2,15D2

> <SMILES>
C(/C=C\C/C=C\CCCC(=O)O)/C=C\CC(O)C(O)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>
10008040

> <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]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$