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CHEBI:76247 - 4-hydroxy-2,5-dimethylfuran-3-one

ChEBI IDCHEBI:76247
ChEBI Name4-hydroxy-2,5-dimethylfuran-3-one
Stars
DefinitionA member of the class of furans that is 2,5-dimethylfuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively. It has been found particularly in strawberries and other such fruits.
Last Modified25 July 2017
SubmitterKAX
DownloadsMolfile
FormulaC6H8O3
Net Charge0
Average Mass128.127
Monoisotopic Mass128.04734
SMILESCC1=C(O)C(=O)C(C)O1
InChIInChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChIKeyINAXVXBDKKUCGI-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Applications:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
fragrance  A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) has role flavouring agent (CHEBI:35617)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) has role fragrance (CHEBI:48318)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) has role plant metabolite (CHEBI:76924)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) is a cyclic ketone (CHEBI:3992)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) is a enol (CHEBI:33823)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) is a furans (CHEBI:24129)
4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247) is conjugate acid of 4-hydroxy-2,5-dimethylfuran-3-olate (CHEBI:76248)
Incoming Relation(s)
furaneol sulfate (CHEBI:232998) has functional parent 4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247)
4-hydroxy-2,5-dimethylfuran-3-olate (CHEBI:76248) is conjugate base of 4-hydroxy-2,5-dimethylfuran-3-one (CHEBI:76247)
Synonyms  Source
HDMFSUBMITTER
4-hydroxy-2,5-dimethyl-3(2H)-furanoneChEBI
2,5-Dimethyl-3-hydroxy-4-oxo-4,5-dihydrofuranChemIDplus
2,5-Dimethyl-4-hydroxy-2,3-dihydrofuran-3-oneChemIDplus
2,5-Dimethyl-4-hydroxy-3(2H)-furanoneChemIDplus
Pineapple ketoneChemIDplus
UniProt Name  Source
4-hydroxy-2,5-dimethyl-furan-3(2H)-oneUniProt
Manual XrefsDatabases
HMDB0040594HMDB
CPD-10198MetaCyc
FuraneolWikipedia
Registry NumbersSources
Reaxys:1281357Reaxys
CAS:3658-77-3ChemIDplus
Citations