3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one (CHEBI:193324)

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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-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one

ChEBI ID	CHEBI:193324

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H20O4

Net Charge

Average Mass

324.376

Monoisotopic Mass

324.13616

InChI

InChI=1S/C20H20O4/c1-20(2)12-11-16-18(24-20)10-6-14(19(16)23)5-9-17(22)13-3-7-15(21)8-4-13/h3-4,6-8,10-12,21,23H,5,9H2,1-2H3

InChIKey

NJZYNGMMEQHPBO-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C=CC(=C2O)CCC(=O)C3=CC=C(O)C=C3)(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

ChEBI Ontology
Outgoing	3-(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one (CHEBI:193324) is a dihydrochalcones (CHEBI:71230)

IUPAC Name

3-(5-hydroxy-2,2-dimethylchromen-6-yl)-1-(4-hydroxyphenyl)propan-1-one