LMFA03010129
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.0393    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8643    6.4850    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1192    7.2696    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4518    7.7546    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7844    7.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7867    7.7546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5317    8.5392    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7067    8.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5788    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2933    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0077    6.0725    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7221    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4366    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1510    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8655    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5800    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0077    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2463    8.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9607    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6751    8.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3896    8.5392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1040    8.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8185    8.5392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1040    9.7767    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
  3  6  1  6  0  0  0
  6  7  1  0  0  0  0
  7  8  1  1  0  0  0
  4  8  1  1  0  0  0
  2  9  1  1  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 11 17  1  6  0  0  0
  1 18  1  6  0  0  0
 19  7  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 23 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03010129

> <COMMON_NAME>
6beta-PGI1

> <SYSTEMATIC_NAME>
6S,9R-epoxy-11R,15S-dihydroxy-13E-prostaenoic acid

> <FORMULA>
C20H34O5

> <MASS>
354.24

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6beta-Prostaglandin I1

> <INCHI_KEY>
RJADQDXZYFCVHV-DHYPZIFBSA-N

> <INCHI>
InChI=1S/C20H34O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h10-11,14-19,21-22H,2-9,12-13H2,1H3,(H,23,24)/b11-10+/t14-,15-,16+,17+,18+,19+/m0/s1

> <SMILES>
[C@@H]1(O)C[C@H]2O[C@@H](CCCCC(=O)O)C[C@@H]2[C@H]1/C=C/[C@@H](O)CCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283108

> <LIPIDBANK_ID>
XPR1800

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$