(6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide (CHEBI:198586)

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CHEBI:198586 - (6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide

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ChEBI ID	CHEBI:198586
ChEBI Name	(6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C13H20O3
Net Charge	0
Average Mass	224.300
Monoisotopic Mass	224.14124
SMILES	CCCC(=O)C/C=C\C[C@@H]1OC(=O)C[C@H]1C
InChI	InChI=1S/C13H20O3/c1-3-6-11(14)7-4-5-8-12-10(2)9-13(15)16-12/h4-5,10,12H,3,6-9H2,1-2H3/b5-4-/t10-,12+/m1/s1
InChIKey	GVXCZAWBYHCYJS-SFLCEZBHSA-N

Species of Metabolite	Component	Source	Comments
Trichaptum (ncbitaxon:40451)	-	PubMed (24837356)

ChEBI Ontology

Outgoing Relation(s)
	(6Z)-3,4-trans-9-oxo-3-methyldodec-6-en-4-olide (CHEBI:198586) is a γ-lactone (CHEBI:37581)

IUPAC Name
(4R,5S)-4-methyl-5-[(Z)-5-oxooct-2-enyl]oxolan-2-one

Manual Xrefs	Databases
78442272	ChemSpider