3-(4-Hydroxyphenyl)chroman-7-ol (CHEBI:181441)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-(4-Hydroxyphenyl)chroman-7-ol

ChEBI ID	CHEBI:181441

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C15H14O3

Net Charge

Average Mass

242.274

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

InChIKey

ADFCQWZHKCXPAJ-UHFFFAOYSA-N

SMILES

O1CC(CC2=C1C=C(O)C=C2)C3=CC=C(O)C=C3

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in serum (BTO:0001239). of strain C57BL [EFO:0005181] See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(4-Hydroxyphenyl)chroman-7-ol (CHEBI:181441) is a hydroxyisoflavans (CHEBI:76250)

IUPAC Name

3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

Synonym	Source
(+/-)-equol	ChEBI

Registry Number	Type	Source
94105-90-5	CAS Registry Number	ChemIDplus

Last Modified

13 March 2023