1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one (CHEBI:228382)

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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-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one

ChEBI ID	CHEBI:228382

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H16O2

Net Charge

Average Mass

204.269

Monoisotopic Mass

204.11503

InChI

InChI=1S/C13H16O2/c1-9(2)4-5-12-8-11(10(3)14)6-7-13(12)15/h4,6-8,15H,5H2,1-3H3

InChIKey

QJAPFSSVKIZTMR-UHFFFAOYSA-N

SMILES

OC1=C(CC=C(C)C)C=C(C=C1)C(=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: MetaboLights Study

ChEBI Ontology
Outgoing	1-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]ethan-1-one (CHEBI:228382) is a aromatic ketone (CHEBI:76224)

IUPAC Name

1-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone