LMFA03010274
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  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
   12.3104    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
   10.6994    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
   12.4455    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
   12.4455    8.0577    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  2  0  0  0  0
 20 23  2  0     0  0
M  END
> <LM_ID>
LMFA03010274

> <COMMON_NAME>
2,3-dinor-13,14-dihydro-15-keto-PGD2

> <SYSTEMATIC_NAME>
11,15-dioxo-9S-hydroxy-2,3-dinor-5Z-prostenoic acid

> <FORMULA>
C18H28O5

> <MASS>
324.19

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Prostaglandins [FA0301]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-dinor-13,14-dihydro-15-keto-Prostaglandin D2

> <INCHI_KEY>
PPYGOQLBISXMRD-YNOVSXENSA-N

> <INCHI>
InChI=1S/C18H28O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,14-16,20H,2-4,7-12H2,1H3,(H,22,23)/b6-5-/t14-,15-,16+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 18:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44598884

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Carbocyclic fatty acids [FA0114]; Oxo fatty acids [FA0106]; Hydroxy fatty acids [FA0105]; Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-; -; -; -

> <TAXONOMY>
9541

> <CITATION>
108269

$$$$