4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one (CHEBI:194011)

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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-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one

ChEBI ID	CHEBI:194011

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O4

Net Charge

Average Mass

224.256

Monoisotopic Mass

224.10486

InChI

InChI=1S/C12H16O4/c1-8(13)4-5-9-6-10(15-2)12(14)11(7-9)16-3/h6-7,14H,4-5H2,1-3H3

InChIKey

NULBEPOZYDYWOV-UHFFFAOYSA-N

SMILES

O(C1=CC(CCC(=O)C)=CC(OC)=C1O)C

Metabolite of Species	Details
mock community culture	Found in Whole Organism (NCIT:C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one (CHEBI:194011) is a methoxybenzenes (CHEBI:51683) 4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one (CHEBI:194011) is a phenols (CHEBI:33853)

IUPAC Name

4-(4-hydroxy-3,5-dimethoxyphenyl)butan-2-one