4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one (CHEBI:190151)

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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	4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one

ChEBI ID	CHEBI:190151

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H16O5

Net Charge

Average Mass

324.332

Monoisotopic Mass

324.09977

InChI

InChI=1S/C19H16O5/c1-11(20)10-15(12-6-8-13(21)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,21-22H,10H2,1H3

InChIKey

RRZWAMPDGRWRPF-UHFFFAOYSA-N

SMILES

O1C(=O)C(C(CC(=O)C)C2=CC=C(O)C=C2)=C(O)C=3C1=CC=CC3

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in Serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one (CHEBI:190151) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one

Registry Number	Type	Source
24579-14-4	CAS Registry Number	ChemIDplus