LMFA03110051
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
   13.7199    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4352    7.1986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7199    8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9995    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2786    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5578    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8370    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1162    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3953    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    7.6115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.9538    7.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2330    7.6115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5592    7.1262    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7681    7.3813    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2761    6.7132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7681    6.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5592    6.3003    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2330    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9538    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3953    6.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1162    5.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    8.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    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
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 12  1  6  0  0  0
 13 17  1  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  1  0  0  0  0
 17 18  1  6  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
 10 23  1  1  0  0  0
 14 24  1  6  0  0  0
 16 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110051

> <COMMON_NAME>
8-D2c-IsoP

> <SYSTEMATIC_NAME>
8S,12S-dihydroxy-14-oxo-5Z,9E-prostadienoic acid-cyclo[11R,15S]

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(8S,12S)-8-D2-IsoP[11R,15S]

> <INCHI_KEY>
QJADFBZNTPJMDY-MEWMNREUSA-N

> <INCHI>
InChI=1S/C20H32O5/c1-2-3-6-10-16-17(19(23)14-18(16)22)13-12-15(21)9-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16-,17+,19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921947

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10116

> <CITATION>
20944061

$$$$