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CHEBI:187149 - Fluprostenol Lactone Diol

ChEBI IDCHEBI:187149
ChEBI NameFluprostenol Lactone Diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19F3O5
Net Charge0
Average Mass372.339
Monoisotopic Mass372.11846
SMILES[H][C@@]12C[C@@H](O)[C@H](/C=C/[C@@H](O)COc3cccc(C(F)(F)F)c3)[C@]1([H])CC(=O)O2
InChIInChI=1S/C18H19F3O5/c19-18(20,21)10-2-1-3-12(6-10)25-9-11(22)4-5-13-14-7-17(24)26-16(14)8-15(13)23/h1-6,11,13-16,22-23H,7-9H2/b5-4+/t11-,13-,14+,15-,16-/m1/s1
InChIKeyXYSPYIAAWRUEML-GYQXSDTBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Fluprostenol Lactone Diol (CHEBI:187149) is a (trifluoromethyl)benzenes (CHEBI:83565)
IUPAC Name 
(3aS,4R,5R,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxy-4-[3-(triluoromethyl)phenoxy]but-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-one
Manual XrefsDatabases
29364537ChemSpider