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D-Allose
SpectraBase Compound ID 7VZ16AEaS3O
InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey WQZGKKKJIJFFOK-IVMDWMLBSA-N
Mol Weight 180.16 g/mol
Molecular Formula C6H12O6
Exact Mass 180.063388 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1OgbnKY23Uv
Name D-Allose
Acquisition Mode SIMULTANEOUS
CAS Registry Number 2595-97-3
ChEBI ID 17393
Comments 100 mM D-allose - vendor: Sigma 285005; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C6H12O6
IUPAC Name (3R,4R,5R,6R)-6-methyloltetrahydropyran-2,3,4,5-tetrol ; (3R,4R,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3R,4R,5R,6R)-6-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol
InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6?/m1/s1
InChIKey WQZGKKKJIJFFOK-IVMDWMLBSA-N
KEGG Compound ID C01487
KEGG Pathways PATH: map02010 ABC transporters û General
PubChem Compound ID 439507
SMILES C(C1C(C(C(C(O1)O)O)O)O)O
Source File Reference bmse000008