4-hydroxy-3-methyl-4-phenylbutan-2-one (CHEBI:193981)

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CHEBI:193981 - 4-hydroxy-3-methyl-4-phenylbutan-2-one

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ChEBI ID	CHEBI:193981
ChEBI Name	4-hydroxy-3-methyl-4-phenylbutan-2-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H14O2
Net Charge	0
Average Mass	178.231
Monoisotopic Mass	178.09938
SMILES	CC(=O)C(C)C(O)c1ccccc1
InChI	InChI=1S/C11H14O2/c1-8(9(2)12)11(13)10-6-4-3-5-7-10/h3-8,11,13H,1-2H3
InChIKey	PSMPCPHOQAAKLW-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
synthetic microbial community (ncbitaxon:3229850)	Whole Organism (NCIT:C13413)	MetaboLights (MTBLS3129)

ChEBI Ontology

Outgoing Relation(s)
	4-hydroxy-3-methyl-4-phenylbutan-2-one (CHEBI:193981) is a alkylbenzene (CHEBI:38976)

IUPAC Name
4-hydroxy-3-methyl-4-phenylbutan-2-one

Manual Xrefs	Databases
19135537	ChemSpider