(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one (CHEBI:211198)

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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	(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one

ChEBI ID	CHEBI:211198

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H22O2

Net Charge

Average Mass

210.317

Monoisotopic Mass

210.16198

InChI

InChI=1S/C13H22O2/c1-4-10(2)7-5-6-8-12-9-11(3)15-13(12)14/h9-11H,4-8H2,1-3H3/t10-,11-/m0/s1

InChIKey

WNNWZLRNFSNZOJ-QWRGUYRKSA-N

SMILES

O=C1O[C@@H](C)C=C1CCCC[C@H](CC)C

Metabolite of Species	Details
Streptomyces avermitilis (NCBI:txid33903)	See: DOI

ChEBI Ontology
Outgoing	(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one (CHEBI:211198) is a butenolide (CHEBI:50523)

IUPAC Name

(2S)-2-methyl-4-[(5S)-5-methylheptyl]-2H-uran-5-one