5-(4′,6′-dihydroxy-6′-methyloctyl)furan-2(5H)-one (CHEBI:227133)

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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-(4′,6′-dihydroxy-6′-methyloctyl)furan-2(5H)-one

ChEBI ID	CHEBI:227133

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C13H22O4

Net Charge

Average Mass

242.315

Monoisotopic Mass

242.15181

InChI

InChI=1S/C13H22O4/c1-3-13(2,16)9-10(14)5-4-6-11-7-8-12(15)17-11/h7-8,10-11,14,16H,3-6,9H2,1-2H3

InChIKey

OJEJTWIXIOYTDZ-UHFFFAOYSA-N

SMILES

O=C1OC(CCCC(O)CC(O)(CC)C)C=C1

ChEBI Ontology
Outgoing	5-(4′,6′-dihydroxy-6′-methyloctyl)furan-2(5H)-one (CHEBI:227133) is a butenolide (CHEBI:50523)

IUPAC Name

2-(4,6-dihydroxy-6-methyloctyl)-2H-uran-5-one