LMFA03110064
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   14.0093    9.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8763    8.7257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0093   10.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1359    8.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    9.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3885    8.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5147    9.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411    8.7257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7674    9.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9508    8.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    8.9472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3954    8.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9919    7.3275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9508    7.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7674    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6411    7.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5147    7.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3885    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    7.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1359    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0097    7.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8834    7.0485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5147   10.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.9117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  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  0     0  0
  8  9  2  0     0  0
 10  9  1  1     0  0
 10 14  1  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  1     0  0
 15 16  1  0     0  0
 16 17  2  0     0  0
 17 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
  7 23  1  6     0  0
 11 24  1  1     0  0
 13 25  2  0     0  0
M  END
> <LM_ID>
LMFA03110064

> <COMMON_NAME>
ent-5-D2c-IsoP

> <SYSTEMATIC_NAME>
5R,9R-dihydroxy-11-oxo-6E,14Z-prostadienoic acid-cyclo[8S,12R]

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(5R,9R)-5-D2-IsoP[8S,12R]

> <INCHI_KEY>
RIBVJRIPUIBKFY-AKZHIYLFSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-4-5-6-7-10-16-17(19(23)14-18(16)22)13-12-15(21)9-8-11-20(24)25/h6-7,12-13,15-17,19,21,23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16-,17+,19-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
126457317

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$