1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one (CHEBI:204198)

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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-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one

ChEBI ID	CHEBI:204198

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/c1-8-6-11(7-9(2)13(8)16)10(3)12(15)4-5-14/h6-7,10,14,16H,4-5H2,1-3H3/t10-/m1/s1

InChIKey

AOHGTFWDXLJRRI-SNVBAGLBSA-N

SMILES

O=C([C@@H](C1=CC(=C(O)C(=C1)C)C)C)CCO

Metabolite of Species	Details
Phoma (NCBI:txid37463)	See: DOI

ChEBI Ontology
Outgoing	1-hydroxy-4-(3,5-dimethyl-4-hydroxyphenyl)pentan-3-one (CHEBI:204198) is a hydroxytoluene (CHEBI:24751)

IUPAC Name

1-hydroxy-4-(4-hydroxy-3,5-dimethylphenyl)pentan-3-one