xi-3,5-Dimethyl-2(5H)-furanone (CHEBI:173378)

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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	xi-3,5-Dimethyl-2(5H)-furanone

ChEBI ID	CHEBI:173378

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O2

Net Charge

Average Mass

112.128

Monoisotopic Mass

112.05243

InChI

InChI=1S/C6H8O2/c1-4-3-5(2)8-6(4)7/h3,5H,1-2H3

InChIKey

SAXRUMLUKZBSTO-UHFFFAOYSA-N

SMILES

O1C(C=C(C1=O)C)C

ChEBI Ontology
Outgoing	xi-3,5-Dimethyl-2(5H)-furanone (CHEBI:173378) is a butenolide (CHEBI:50523)

IUPAC Name

2,4-dimethyl-2H-uran-5-one