LMFA03110092
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   11.6182    7.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3405    7.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6182    6.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1623    7.4795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4341    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7061    7.4795    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
    7.2498    7.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5694    7.4063    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7703    7.6641    0.0000 C   0  0  1  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  2  0  0  0  0  0  0  0  0  0
    7.2498    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  1  0  0  0  0  0  0  0  0  0
    9.4341    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    6.4988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6185    6.0817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  1  0  0  0
 10 14  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  1  0  0  0
 15 16  2  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
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  1  0  0  0
 13 24  2  0  0  0  0
 17 25  1  1  0  0  0
M  END
> <LM_ID>
LMFA03110092

> <COMMON_NAME>
ent-15-D2c-IsoP

> <SYSTEMATIC_NAME>
9R,15R-dihydroxy-11-oxo-5Z,13E-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>
(9R,15R)-15-D2-IsoP[8S,12R]

> <INCHI_KEY>
BHMBVRSPMRCCGG-KIUOMDKCSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17-,18-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
25755784

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$