LMFA02000462
  LIPID_MAPS_STRUCTURE_DATABASE

 21 21  0     0  0            999 V2000
   -0.4400   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400   -0.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    0.7620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3264   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1000   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9868   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8737   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7605   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6473   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5341   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4209   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3077   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1945   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0813   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9682   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8550   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.7418   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6286   -0.7620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5154   -0.2541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4302    0.5139    0.0000 O   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  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
  7 21  1  0     0  0
  8 21  1  0     0  0
M  END
> <LM_ID>
LMFA02000462

> <COMMON_NAME>
5(6)-EpODE

> <SYSTEMATIC_NAME>
5,6-Epoxy-9Z,12Z-octadecadienoic acid

> <FORMULA>
C18H30O3

> <MASS>
294.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Octadecanoids [FA02]

> <SUB_CLASS>
Other Octadecanoids [FA0200]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VKJKVBSGNYKEGH-HZJYTTRNSA-N

> <INCHI>
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-13-16-17(21-16)14-12-15-18(19)20/h6-7,9-10,16-17H,2-5,8,11-15H2,1H3,(H,19,20)/b7-6-,10-9-

> <SMILES>
C(CCCC1OC1CC/C=C\C/C=C\CCCCC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$