5-(6-Methyl-6-hydroxyheptyl)furan-2(5H)-one (CHEBI:181477)

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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	5-(6-Methyl-6-hydroxyheptyl)furan-2(5H)-one

ChEBI ID	CHEBI:181477

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H20O3

Net Charge

Average Mass

212.289

Monoisotopic Mass

212.14124

InChI

InChI=1S/C12H20O3/c1-12(2,14)9-5-3-4-6-10-7-8-11(13)15-10/h7-8,10,14H,3-6,9H2,1-2H3

InChIKey

RFEPDQFPTNCOBK-UHFFFAOYSA-N

SMILES

OC(CCCCCC1OC(=O)C=C1)(C)C

ChEBI Ontology
Outgoing	5-(6-Methyl-6-hydroxyheptyl)furan-2(5H)-one (CHEBI:181477) is a butenolide (CHEBI:50523)

IUPAC Name

2-(6-hydroxy-6-methylheptyl)-2H-uran-5-one