4-hydroxy-3-[1-(2-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one (CHEBI:190740)

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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-(2-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one

ChEBI ID	CHEBI:190740

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

InChIKey

WZDBFGYSJZMBIT-UHFFFAOYSA-N

SMILES

O1C(=O)C(C(CC(=O)C)C=2C(O)=CC=CC2)=C(O)C=3C1=CC=CC3

Metabolite of Species	Details
Oryza sativa (NCBI:txid4530)	Found in root (BTO:0001188). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-hydroxy-3-[1-(2-hydroxyphenyl)-3-oxobutyl]-2H-chromen-2-one (CHEBI:190740) is a hydroxycoumarin (CHEBI:37912)

IUPAC Name

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