LMFA03110354
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
   14.0427    9.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9137    8.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0427   10.2452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1655    8.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2876    9.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4099    8.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5321    9.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6544    8.7366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767    9.2393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9562    8.6484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9929    8.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3938    8.1455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9929    7.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9562    7.6427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7767    7.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6544    7.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5321    7.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4099    7.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2876    7.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1655    7.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0431    7.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9209    7.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5321   10.1296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    9.9282    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  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  1  0  0  0  0
  8  9  2  0  0  0  0
 10  9  1  6  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  6  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
  7 23  1  4  0  0  0
 11 24  1  6  0  0  0
 13 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110354

> <COMMON_NAME>
8,12-iso-iPF2alpha-VI

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

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5(R,S)-5-F2c-IsoP

> <INCHI_KEY>
RZCPXIZGLPAGEV-DCOIXEBESA-N

> <INCHI>
InChI=1S/C20H34O5/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/h6-7,12-13,15-19,21-23H,2-5,8-11,14H2,1H3,(H,24,25)/b7-6-,13-12+/t15?,16-,17+,18+,19-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
189852

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
16310

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
156593941

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
10557329

$$$$