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

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ChEBI Name 2,5-Dimethyl-4-ethoxy-3(2H)-furanone
ChEBI ID CHEBI:169451
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O3
Net Charge 0
Average Mass 156.181
Monoisotopic Mass 156.07864
InChI InChI=1S/C8H12O3/c1-4-10-8-6(3)11-5(2)7(8)9/h5H,4H2,1-3H3
InChIKey AILFSZXBRNLVHY-UHFFFAOYSA-N
SMILES O1C(C(=O)C(OCC)=C1C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
2285292 ChemSpider
HMDB0032232 HMDB
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Registry Number Type Source
65330-49-6 CAS Registry Number ChemIDplus