| SpectraBase Spectrum ID |
CyXAymkBD9S |
| Name |
D-(+)-Sorbose |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
3615-56-3 |
| ChEBI ID |
17317 |
| Comments |
100 mM d-(+) sorbose - vendor: Sigma s4887; 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,4S,5R)-2-methyloltetrahydropyran-2,3,4,5-tetrol; (3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol; (3R,4S,5R)-2-(hydroxymethyl)tetrahydropyran-2,3,4,5-tetrol |
| InChI |
InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5-,6?/m1/s1 |
| InChIKey |
LKDRXBCSQODPBY-IANNHFEVSA-N |
| KEGG Compound ID |
C00764 |
| PubChem Compound ID |
439304 |
| SMILES |
C1C(C(C(C(O1)(CO)O)O)O)O |
| Source File Reference |
bmse000022 |
