LMFA03110002
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    7.9927    7.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9927    8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4538    8.4484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416    7.6394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1318    9.0361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    9.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8017    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6676    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3998    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2657    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1318    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8639    9.0361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9978   10.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5337    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  2  6  1  1  0  0  0
  6  7  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  0  0  0  0
  1 13  1  1  0  0  0
 13 14  2  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  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  2  0  0  0  0
 12 22  1  0  0  0  0
 12 23  2  0  0  0  0
 15 24  1  6  0  0  0
  5 25  1  6  0  0  0
M  END
> <LM_ID>
LMFA03110002

> <COMMON_NAME>
8-iso-PGE1

> <SYSTEMATIC_NAME>
9-oxo-11R,15S-dihydroxy-13E-prostaenoic acid-cyclo[8S,12R]

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GMVPRGQOIOIIMI-JCPCGATGSA-N

> <INCHI>
InChI=1S/C20H34O5/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/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)/b13-12+/t15-,16-,17+,19+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0004686

> <CHEBI_ID>
183841

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
13360

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283212

> <LIPIDBANK_ID>
XPR1777

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
441435

$$$$