LMFA03110079
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
    9.4339    7.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1563    7.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4339    6.8539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061    7.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781    7.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2499    7.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    7.4063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7703    7.6641    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2733    6.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7703    6.3143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    6.5721    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2499    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9781    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061    6.0817    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.4342    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1623    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6185    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0747    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8027    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5308    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061    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
  7  6  1  6  0  0  0
  7 11  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  1  6  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  1  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
  8 23  1  6  0  0  0
 10 24  2  0  0  0  0
 14 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110079

> <COMMON_NAME>
12-D2c-IsoP

> <SYSTEMATIC_NAME>
6S,12S-dihydroxy-8-oxo-10E,14Z-prostadienoic acid-cyclo[5R,9S]

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(6S,12S)-12-D2-IsoP[5R,9S]

> <INCHI_KEY>
VRHOOVVYFPUEHK-NFVHWJBISA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-4-5-6-7-9-15(21)12-13-17-16(10-8-11-20(24)25)18(22)14-19(17)23/h6-7,12-13,15-18,21-22H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15-,16+,17-,18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921975

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$