Butyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate (CHEBI:199824)

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CHEBI:199824 - Butyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate

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ChEBI ID	CHEBI:199824
ChEBI Name	Butyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C11H16O4
Net Charge	0
Average Mass	212.245
Monoisotopic Mass	212.10486
SMILES	CCCCOC(=O)CC1=COCCC1=O
InChI	InChI=1S/C11H16O4/c1-2-3-5-15-11(13)7-9-8-14-6-4-10(9)12/h8H,2-7H2,1H3
InChIKey	DPBSCIKCRBKFLP-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (20390738)

ChEBI Ontology

Outgoing Relation(s)
	Butyl 2-(4-oxo-5,6-dihydro-2H-pyran-3-yl) acetate (CHEBI:199824) is a pyranone (CHEBI:37963)

IUPAC Name
butyl 2-(4-oxo-2,3-dihydropyran-5-yl)acetate

Manual Xrefs	Databases
27024789	ChemSpider