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CHEBI:169451 - 2,5-Dimethyl-4-ethoxy-3(2H)-furanone

ChEBI IDCHEBI:169451
ChEBI Name2,5-Dimethyl-4-ethoxy-3(2H)-furanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O3
Net Charge0
Average Mass156.181
Monoisotopic Mass156.07864
SMILESCCOC1=C(C)OC(C)C1=O
InChIInChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3
InChIKeyAILFSZXBRNLVHY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
2,5-Dimethyl-4-ethoxy-3(2H)-furanone (CHEBI:169451) is a oxolanes (CHEBI:26912)
IUPAC Name 
4-ethoxy-2,5-dimethyluran-3-one
Manual XrefsDatabases
2285292ChemSpider
HMDB0032232HMDB
Registry NumbersSources
CAS:65330-49-6ChemIDplus