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

ChEBI IDCHEBI:211198
ChEBI Name(5S,S)-5-methyl-3-(5-methylheptyl)furan-2(5H)-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H22O2
Net Charge0
Average Mass210.317
Monoisotopic Mass210.16198
SMILESCC[C@H](C)CCCCC1=C[C@H](C)OC1=O
InChIInChI=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
InChIKeyWNNWZLRNFSNZOJ-QWRGUYRKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces avermitilis (ncbitaxon:33903) - DOI (10.1002/ejoc.200600343)
ChEBI Ontology
Outgoing Relation(s)
(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
Manual XrefsDatabases
17248558ChemSpider