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CHEBI:189762 - 11-keto Fluprostenol

ChEBI IDCHEBI:189762
ChEBI Name11-keto Fluprostenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H27F3O6
Net Charge0
Average Mass456.457
Monoisotopic Mass456.17597
SMILESO=C(O)CCC/C=C\C[C@H]1[C@@H](O)CC(=O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-20,27-28H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+/m1/s1
InChIKeyMDMHJAKZGBRYTF-KYUUVOLFSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
ChEBI Ontology
Outgoing Relation(s)
11-keto Fluprostenol (CHEBI:189762) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3R)-3-hydroxy-4-[3-(triluoromethyl)phenoxy]but-1-enyl]-3-oxocyclopentyl]hept-5-enoic acid
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