LMFA03110010
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
    8.0039    7.9623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039    8.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445    9.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    8.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0445    7.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8199    9.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936    9.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8199    7.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6936    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5673    7.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4409    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3143    7.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1880    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0616    7.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9351    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5673    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7023    9.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5759    9.5640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4496    9.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3231    9.5640    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4496    8.2527    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
  1  8  1  1  0  0  0
  8  9  2  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  3 16  1  6  0  0  0
 10 17  1  6  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
  5 20  1  6  0  0  0
 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 21 23  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110010

> <COMMON_NAME>
2,3-Dinor-8-iso-PGF2alpha

> <SYSTEMATIC_NAME>
9S,11R,15S-trihydroxy-2,3-dinor-5Z,13E-prostadienoic acid-cyclo[8S,12R]

> <FORMULA>
C18H30O5

> <MASS>
326.21

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-dinor-15-F2t-IsoP

> <INCHI_KEY>
IDKLJIUIJUVJNR-JSEKUSAISA-N

> <INCHI>
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/b6-5-,11-10+/t13-,14-,15+,16-,17+/m0/s1

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

> <KEGG_ID>
C14794

> <HMDB_ID>
-

> <CHEBI_ID>
34230

> <ABBREVIATION>
FA 18:3;O3

> <CAYMAN_ID>
16290

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9548881

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
8702808

$$$$