1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one (CHEBI:190830)

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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	1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one

ChEBI ID	CHEBI:190830

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H18O3

Net Charge

Average Mass

222.284

Monoisotopic Mass

222.12559

InChI

InChI=1S/C13H18O3/c1-9(2)12(14)8-13(15)10-4-6-11(16-3)7-5-10/h4-7,9,13,15H,8H2,1-3H3

InChIKey

YVUDKWMRXUYYQI-UHFFFAOYSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one (CHEBI:190830) is a methoxybenzenes (CHEBI:51683)

IUPAC Name

1-hydroxy-1-(4-methoxyphenyl)-4-methylpentan-3-one