LMFA03140010
  LIPID_MAPS_STRUCTURE_DATABASE

 25 24  0  0  0  0  0  0  0  0999 V2000
   18.7690    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4881    6.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7690    7.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0447    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3199    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5953    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8705    6.4931    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.1458    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4211    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6963    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9718    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2470    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5223    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7977    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0728    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6235    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8988    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1741    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493    6.0778    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7246    6.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8705    7.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7977    7.3233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4493    5.2475    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  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
  7 23  1  1  0  0  0
 14 24  2  0  0  0  0
 20 25  1  1  0  0  0
M  END
> <LM_ID>
LMFA03140010

> <COMMON_NAME>
12-oxo-Resolvin E1

> <SYSTEMATIC_NAME>
12-oxo-5S,18S-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid

> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Resolvin Es [FA0314]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
12-oxo-RvE1

> <INCHI_KEY>
IEJXJLXCFNXYAY-IFAPNEAUSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17,19,21,23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/t17-,19+/m0/s1

> <SMILES>
C(CCC[C@H](O)/C=C\C=C\C=C\C(=O)C/C=C\C=C\[C@@H](O)CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
165264

> <ABBREVIATION>
FA 20:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
53477464

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -; -

> <TAXONOMY>
-

> <CITATION>
-

$$$$