(3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one (CHEBI:200263)

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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	(3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one

ChEBI ID	CHEBI:200263

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O3

Net Charge

Average Mass

208.257

Monoisotopic Mass

208.10994

InChI

InChI=1S/C12H16O3/c1-6(9(4)13)10-5-11(14)8(3)12(15)7(10)2/h5-6,14-15H,1-4H3/t6-/m1/s1

InChIKey

NIJXMDSDVNFHJC-ZCFIWIBFSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	(3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one (CHEBI:200263) is a monoterpenoid (CHEBI:25409)

IUPAC Name

(3S)-3-(3,5-dihydroxy-2,4-dimethylphenyl)butan-2-one