4-hydroxy-4-(3-methoxyphenyl)butan-2-one (CHEBI:190886)

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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-4-(3-methoxyphenyl)butan-2-one

ChEBI ID	CHEBI:190886

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O3

Net Charge

Average Mass

194.230

Monoisotopic Mass

194.09429

InChI

InChI=1S/C11H14O3/c1-8(12)6-11(13)9-4-3-5-10(7-9)14-2/h3-5,7,11,13H,6H2,1-2H3

InChIKey

ZKWCOMLAOQTYIJ-UHFFFAOYSA-N

SMILES

OC(C1=CC(OC)=CC=C1)CC(=O)C

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

ChEBI Ontology
Outgoing	4-hydroxy-4-(3-methoxyphenyl)butan-2-one (CHEBI:190886) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

4-hydroxy-4-(3-methoxyphenyl)butan-2-one