6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one (CHEBI:229417)

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CHEBI:229417 - 6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one

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ChEBI ID	CHEBI:229417
ChEBI Name	6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O2
Net Charge	0
Average Mass	208.301
Monoisotopic Mass	208.14633
SMILES	CC(=O)CCCC(C)(C)c1ccc(C)o1
InChI	InChI=1S/C13H20O2/c1-10(14)6-5-9-13(3,4)12-8-7-11(2)15-12/h7-8H,5-6,9H2,1-4H3
InChIKey	CQPPRTJQWXGAGK-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

ChEBI Ontology

Outgoing Relation(s)
	6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one (CHEBI:229417) is a heteroarene (CHEBI:33833)

IUPAC Name
6-methyl-6-(5-methyluran-2-yl)heptan-2-one

Manual Xrefs	Databases
503426	ChemSpider