LMFA03010296
  LIPID_MAPS_STRUCTURE_DATABASE

 24 24  0     0  0            999 V2000
    8.0027    7.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0027    8.9692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    9.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4515    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0440    7.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8183    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6913    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4374    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3105    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1834    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0565    7.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9296    7.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.2394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5644    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6993    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5724    9.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4456    9.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3186    9.5617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4457    8.0577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7956    7.3727    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  6  0  0  0
  6  7  1  0  0  0  0
  1  8  1  1  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
 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  2  0  0  0  0
  7 18  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
  5 22  1  6  0  0  0
 20 23  2  0     0  0
 15 24  1  0     0  0
M  END
> <LM_ID>
LMFA03010296

> <COMMON_NAME>
20-hydroxy-15-oxo-13,14-dihydro-2,3-dinor-PGF2alpha

> <SYSTEMATIC_NAME>
9S,11R,15S,20-tetrahydroxy-5Z-2,3-dinorprostenoic acid

> <FORMULA>
C18H30O6

> <MASS>
342.20

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
PGF-mum; Prostaglandin F-main urinary metabolite; PGF2alpha UM; PGF-main urinary metabolite

> <INCHI_KEY>
MBJNKTSSQMIPIF-TUXBEBCXSA-N

> <INCHI>
InChI=1S/C18H30O6/c19-11-5-1-2-6-13(20)9-10-15-14(16(21)12-17(15)22)7-3-4-8-18(23)24/h3-4,14-17,19,21-22H,1-2,5-12H2,(H,23,24)/b4-3-/t14-,15-,16+,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6443310

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
5135312

$$$$