EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:76245 - 4-hydroxy-5-methyl-2-methylenefuran-3-one

ChEBI IDCHEBI:76245
ChEBI Name4-hydroxy-5-methyl-2-methylenefuran-3-one
Stars
DefinitionA member of the class of furans that is 5-methyl-2-methylenefuran carrying additional oxo and hydroxy groups at positions 3 and 4 respectively.
Last Modified21 November 2013
SubmitterKAX
DownloadsMolfile
FormulaC6H6O3
Net Charge0
Average Mass126.111
Monoisotopic Mass126.03169
SMILESC=C1OC(C)=C(O)C1=O
InChIInChI=1S/C6H6O3/c1-3-5(7)6(8)4(2)9-3/h8H,1H2,2H3
InChIKeyNPMQEIOINVDLMV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245) is a cyclic ketone (CHEBI:3992)
4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245) is a enol (CHEBI:33823)
4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245) is a enone (CHEBI:51689)
4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245) is a furans (CHEBI:24129)
4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245) is tautomer of 2-methyl-5-methylenefuran-3,4-dione (CHEBI:76246)
Incoming Relation(s)
2-methyl-5-methylenefuran-3,4-dione (CHEBI:76246) is tautomer of 4-hydroxy-5-methyl-2-methylenefuran-3-one (CHEBI:76245)
IUPAC Name 
4-hydroxy-5-methyl-2-methylenefuran-3(2H)-one
Synonyms  Source
HMMFSUBMITTER
4-hydroxy-5-methyl-2-methylene-3(2H)-furanoneChEBI
4-hydroxy-5-methyl-2-methylene-3-furanoneChEBI
UniProt Name  Source
4-hydroxy-5-methyl-2-methylenefuran-3(2H)-oneUniProt
Manual XrefsDatabases
CPD-10205MetaCyc
Registry NumbersSources
Reaxys:15778938Reaxys
Citations