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CHEBI:187753 - Candidone

ChEBI IDCHEBI:187753
ChEBI NameCandidone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H24O4
Net Charge0
Average Mass352.430
Monoisotopic Mass352.16746
SMILESCOc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)CC2=O
InChIInChI=1S/C22H24O4/c1-14(2)10-11-16-19(24-3)13-20(25-4)21-17(23)12-18(26-22(16)21)15-8-6-5-7-9-15/h5-10,13,18H,11-12H2,1-4H3/t18-/m0/s1
InChIKeyJYESOAFLKFHYHP-SFHVURJKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Candidone (CHEBI:187753) is a flavanones (CHEBI:28863)
IUPAC Name 
(2S)-5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
138279ChemSpider
Registry NumbersSources
CAS:77727-18-5ChemIDplus