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CHEBI:230709 - 4-Fluoroestradiol

ChEBI IDCHEBI:230709
ChEBI Name4-Fluoroestradiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H23FO2
Net Charge0
Average Mass290.378
Monoisotopic Mass290.16821
SMILESC[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@H]2O
InChIInChI=1S/C18H23FO2/c1-18-9-8-11-10-4-6-15(20)17(19)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,16,20-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1
InChIKeyQZFXMXJXAUMHQR-ZHIYBZGJSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
4-Fluoroestradiol (CHEBI:230709) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
(8R,9S,13S,14S,17S)-4-luoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Manual XrefsDatabases
8261159ChemSpider