LMFA02000456
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   17.1092   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948   -0.5394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1092    0.9948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2170   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3244   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4318   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6466   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7540   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8615   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9688   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0762   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1837   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2911   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3985   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5059   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6134   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7208   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8281   -0.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9356   -0.5394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8293    0.7182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9861    0.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6925    0.6802    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8190    0.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2260    0.9383    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  2  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
 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
 15 21  1  0  0  0  0
 14 21  1  0  0  0  0
 14 22  1  0     0  0
 15 23  1  0     0  0
 12 24  1  0     0  0
 11 25  1  0     0  0
M  ISO  4  22   2  23   2  24   2  25   2
M  END
> <LM_ID>
LMFA02000456

> <COMMON_NAME>
(+/-)12(13)-EpOME-d4

> <SYSTEMATIC_NAME>
(+/-)12(13)-epoxy-9Z-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>
Vernolic acid-d4; isoleukotoxin-d4; (+/-)12,13-EODE-d4

> <INCHI_KEY>
CCPPLLJZDQAOHD-LZHWIENRSA-N

> <INCHI>
InChI=1S/C18H32O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11,16-17H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-/i8D,11D,16D,17D

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
10009996

> <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>
-

$$$$