LMFA03110107
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0     0  0            999 V2000
    7.9209    7.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9209    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    9.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3097    8.3290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    7.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680    9.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6747    8.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7680    7.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6747    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5815    7.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4883    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3950    7.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3018    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2085    7.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1153    7.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.9884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5724    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7217    8.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6285    9.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5352    8.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4421    9.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3488    8.9444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0985    9.3369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3488    8.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7065    6.6955    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  6  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  1  0  0  0
 10 17  1  1  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
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
  5 25  2  0  0  0  0
M  END
> <LM_ID>
LMFA03110107

> <COMMON_NAME>
ent-PGD2

> <SYSTEMATIC_NAME>
9R,15R-dihydroxy-11-oxo-5Z,13E-prostadienoic acid-cyclo[8S,12S]

> <FORMULA>
C20H32O5

> <MASS>
352.22

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Eicosanoids [FA03]

> <SUB_CLASS>
Isoprostanes [FA0311]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BHMBVRSPMRCCGG-SLQLHLDPSA-N

> <INCHI>
InChI=1S/C20H32O5/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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
FA 20:4;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52921991

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
10090

> <CITATION>
21317107

$$$$