LMFA02000457
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   17.6287   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5200   -1.8643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6287   -0.3206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7310   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8329   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9347   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0365   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2403   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3422   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5458   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6476   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7496   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8514   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9532   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0552   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1569   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587   -1.3498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3607   -1.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9338   -0.6778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5942   -0.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0068   -0.3834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1039   -0.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8399   -0.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 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  2  0  0  0  0
 15 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
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 11 21  1  0  0  0  0
 15 22  1  0     0  0
 14 23  1  0     0  0
 11 24  1  0     0  0
 12 25  1  0     0  0
M  ISO  4  22   2  23   2  24   2  25   2
M  END
> <LM_ID>
LMFA02000457

> <COMMON_NAME>
(+/-)9(10)-EpOME-d4

> <SYSTEMATIC_NAME>
(+/-)9(10)-epoxy-12Z-octadecenoic 9,10,12,13-d4 acid

> <FORMULA>
C18H28D4O3

> <MASS>
300.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Coronaric acid-d4; leukotoxin-d4; (+/-)9,10-EODE-d4

> <INCHI_KEY>
FBUKMFOXMZRGRB-LRVICGPYSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/i7D,10D,16D,17D

> <SMILES>
C(CCCCCCCC1([2H])OC1([2H])C/C(/[2H])=C(/[2H])\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10009995

> <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>
-

$$$$