5-Hydroxymethyl-2-furoic acid

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Systematic / IUPAC Name: 5-(Hydroxymethyl)furan-2-carboxylic acid

ID: Reference13904

Other Names: AA-4407

Formula: C6H6O4

Class: Endogenous Metabolites

Spectral Data

5-Hydroxymethyl-2-furoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 595
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 5/18/2026 8:39:02 AM
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Identificators

InChI InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)
InChI Key PCSKKIUURRTAEM-UHFFFAOYSA-N
Canonical SMILES O=C(O)c1ccc(CO)o1
CAS
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Other Names AA-4407

In Other Databases

PubChem 80642; 80642
KEGG C20448
ChemSpider 72827
ChEBI CHEBI:89118
ChEMBL CHEMBL468037
HMDb HMDB0002432; HMDB0002432; HMDB0002432