Furaneol

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Systematic / IUPAC Name: 4-Hydroxy-2,5-dimethylfuran-3-one

ID: Reference13851

Other Names: AA-4364

Formula: C6H8O3

Class: Endogenous Metabolites

Spectral Data

Furaneol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 329
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2026 12:32:36 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C6H8O3/c1-3-5(7)6(8)4(2)9-3/h3,8H,1-2H3
InChI Key INAXVXBDKKUCGI-UHFFFAOYSA-N
Canonical SMILES CC1=C(O)C(=O)C(C)O1
CAS
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Other Names AA-4364

In Other Databases

ChEMBL CHEMBL3186302
ChemSpider 18218
PubChem 19309; 19309
ChEBI CHEBI:76247
HMDb HMDB0040594
KEGG C20717
Wikipedia Furaneol