(5S,S)-5-methyl-3-(4-methylhexyl)furan-2(5H)-one (CHEBI:226512)

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CHEBI:226512 - (5S,S)-5-methyl-3-(4-methylhexyl)furan-2(5H)-one

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ChEBI ID	CHEBI:226512
ChEBI Name	(5S,S)-5-methyl-3-(4-methylhexyl)furan-2(5H)-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H20O2
Net Charge	0
Average Mass	196.290
Monoisotopic Mass	196.14633
SMILES	CC[C@H](C)CCCC1=C[C@H](C)OC1=O
InChI	InChI=1S/C12H20O2/c1-4-9(2)6-5-7-11-8-10(3)14-12(11)13/h8-10H,4-7H2,1-3H3/t9-,10-/m0/s1
InChIKey	QLRVFFWGAYKLJF-UWVGGRQHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces avermitilis (ncbitaxon:33903)	-	DOI (10.1002/ejoc.200600343)

ChEBI Ontology

Outgoing Relation(s)
	(5S,S)-5-methyl-3-(4-methylhexyl)furan-2(5H)-one (CHEBI:226512) is a butenolide (CHEBI:50523)

IUPAC Name
(2S)-2-methyl-4-[(4S)-4-methylhexyl]-2H-uran-5-one

Manual Xrefs	Databases
17248851	ChemSpider