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CHEBI:34741 - equol

ChEBI IDCHEBI:34741
ChEBI Nameequol
Stars
Last Modified10 July 2017
DownloadsMolfile
FormulaC15H14O3
Net Charge0
Average Mass242.274
Monoisotopic Mass242.09429
SMILESOc1ccc([C@H]2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m1/s1
InChIKeyADFCQWZHKCXPAJ-GFCCVEGCSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (11410004)
blood (UBERON:0000178) PubMed (17449595)
ChEBI Ontology
Outgoing Relation(s)
equol (CHEBI:34741) is a hydroxyisoflavans (CHEBI:76250)
Incoming Relation(s)
equol glucuronide (CHEBI:233019) has functional parent equol (CHEBI:34741)
equol sulphate (CHEBI:233020) has functional parent equol (CHEBI:34741)
IUPAC Name 
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonyms  Source
EquolKEGG COMPOUND
(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-olHMDB
4',7-DihydroxyisoflavanHMDB
(S)-EquolHMDB
4',7-IsoflavandiolHMDB
(-)-(S)-EquolHMDB
Manual XrefsDatabases
C14131KEGG COMPOUND
C00009707KNApSAcK
EquolWikipedia
HMDB0002209HMDB
LMPK12080003LIPID MAPS
Registry NumbersSources
CAS:531-95-3KEGG COMPOUND
Citations