LMFA03050020
  Accord  08271317182D

 31 31  0  0  0  0  0  0  0  0999 V2000
    5.1263    6.7609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4428    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4428    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    7.0813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    6.4392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9611    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8388    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980    6.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3572    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    6.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8755    6.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5980    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3572    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1164    7.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8755    7.5200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6019    6.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6283    7.0855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8755    8.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3957    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297    8.1011    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    6.7635    8.0755    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    7.6265    8.0995    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    9.1623    8.0804    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    6.8298    5.3300    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    5.1831    5.3385    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    9.3906    5.4484    0.0000 D   0  0  0  0  0  0  0  0  0  0  0  0
    7.4508    5.4900    0.0000 D   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
  5 24  1  0  0  0  0
  4 25  1  0  0  0  0
  8 26  1  0  0  0  0
 10 27  1  0  0  0  0
  3 28  1  0  0  0  0
  2 29  1  0  0  0  0
 11 30  1  0  0  0  0
  9 31  1  0  0  0  0
M  END
> <LM_ID>
LMFA03050020

> <COMMON_NAME>
(+/-)14,15-EpETrE-(d8)

> <SYSTEMATIC_NAME>
14,15-epoxy-5Z,8Z,11Z-eicosatrienoic acid-(d8)

> <FORMULA>
C20H24D8O3

> <MASS>
328.29

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Hydroxy/hydroperoxyeicosatrienoic acids [FA0305]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JBSCUHKPLGKXKH-DSPKLGAASA-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-/i4D,6D,7D,9D,10D,13D,18D,19D

> <SMILES>
C(/C(/[2H])=C(/[2H])\C/C(/[2H])=C(/[2H])\CCCC(=O)O)/C(/[2H])=C(/[2H])\CC1([2H])OC1([2H])CCCCC

> <KEGG_ID>
C14771

> <HMDB_ID>
HMDB04264

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607307

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$