CHEBI:34741 - equol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name equol
ChEBI ID CHEBI:34741
Stars This entity has been manually annotated by a third party.
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Formula C15H14O3
Net Charge 0
Average Mass 242.26990
Monoisotopic Mass 242.09429
InChI InChI=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
InChIKey ADFCQWZHKCXPAJ-GFCCVEGCSA-N
SMILES Oc1ccc(cc1)[C@H]1COc2cc(O)ccc2C1
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
ChEBI Ontology
Outgoing equol (CHEBI:34741) is a hydroxyisoflavans (CHEBI:76250)
IUPAC Name
(3S)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-ol
Synonyms Sources
(-)-(S)-Equol HMDB
(-)-Equol HMDB
(S)-(-)-4',7-Isoflavandiol HMDB
(S)-3,4-dihydro-3-(4-hydroxyphenyl)-2H-1-Benzopyran-7-ol HMDB
(S)-Equol HMDB
4',7-Dihydroxyisoflavan HMDB
4',7-Isoflavandiol HMDB
Equol KEGG COMPOUND
Manual Xrefs Databases
C00009707 KNApSAcK
C14131 KEGG COMPOUND
Equol Wikipedia
HMDB0002209 HMDB
LMPK12080003 LIPID MAPS
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Registry Number Type Source
531-95-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
11410004 PubMed citation Europe PMC
17449595 PubMed citation Europe PMC
17579894 PubMed citation Europe PMC
17579895 PubMed citation Europe PMC
Last Modified
10 July 2017