1-(2',4'-dihydroxy-5'-methyl-3'-methylsulfanylmethylphenyl)ethanone (CHEBI:203821)

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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-(2',4'-dihydroxy-5'-methyl-3'-methylsulfanylmethylphenyl)ethanone

ChEBI ID	CHEBI:203821

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O3S

Net Charge

Average Mass

226.290

Monoisotopic Mass

226.06637

InChI

InChI=1S/C11H14O3S/c1-6-4-8(7(2)12)11(14)9(5-15-3)10(6)13/h4,13-14H,5H2,1-3H3

InChIKey

BEWHJXXDZIMOAV-UHFFFAOYSA-N

SMILES

S(CC1=C(O)C(C(=O)C)=CC(=C1O)C)C

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: PubMed

ChEBI Ontology
Outgoing	1-(2',4'-dihydroxy-5'-methyl-3'-methylsulfanylmethylphenyl)ethanone (CHEBI:203821) is a aromatic ketone (CHEBI:76224)

IUPAC Name

1-[2,4-dihydroxy-5-methyl-3-(methylsulanylmethyl)phenyl]ethanone