4-hydroxy-3-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one (CHEBI:187190)

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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-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one

ChEBI ID	CHEBI:187190

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H18O4

Net Charge

Average Mass

310.349

Monoisotopic Mass

310.12051

InChI

InChI=1S/C19H18O4/c1-12(20)11-15(13-7-3-2-4-8-13)17-18(21)14-9-5-6-10-16(14)23-19(17)22/h2-10,12,15,20-21H,11H2,1H3

InChIKey

ZUJMMGHIYSAEOU-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	4-hydroxy-3-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one (CHEBI:187190) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

4-hydroxy-3-(3-hydroxy-1-phenylbutyl)chromen-2-one

Registry Number	Type	Source
28392-96-3	CAS Registry Number	ChemIDplus