LMFA03110369
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0            999 V2000
    9.9126   -6.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400   -5.7689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242   -6.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -6.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6707   -6.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664   -7.6658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2242   -7.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0400   -7.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9126   -7.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7855   -7.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6582   -7.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5309   -7.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4036   -7.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2764   -7.4445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1491   -7.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0077   -8.6317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577   -5.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7820   -5.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6545   -6.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5239   -5.7579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3964   -6.2580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2657   -5.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1383   -6.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2625   -4.7467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9106   -5.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  7  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  1     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
  6 16  1  6     0  0
  4 17  2  0     0  0
  1 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 22 24  2  0     0  0
 18 25  1  6     0  0
  1 25  1  6     0  0
M  END
> <LM_ID>
LMFA03110369

> <COMMON_NAME>
5,6-epoxyisoprostane

> <SYSTEMATIC_NAME>
(5R,6R)-epoxy-9-oxo-11R-hydroxy-7E,14Z-prostadienoic acid-cyclo[8,12R]

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
EI

> <INCHI_KEY>
HHCKGRLRYHXQJS-QRKAMBPMSA-N

> <INCHI>
InChI=1S/C20H30O5/c1-2-3-4-5-6-7-9-14-15(17(22)13-16(14)21)12-19-18(25-19)10-8-11-20(23)24/h6-7,12,14,16,18-19,21H,2-5,8-11,13H2,1H3,(H,23,24)/b7-6-,15-12+/t14-,16-,18-,19-/m1/s1

> <SMILES>
[C@@H]1(O[C@@H]1CCCC(=O)O)/C=C1/C(=O)C[C@@H](O)[C@@H]/1C/C=C\CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:5;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
73355610

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
16119935

$$$$