| SpectraBase Spectrum ID |
A76IczUxzTi |
| Name |
D-Salicin |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
138-52-3; 30370-90-2 |
| ChEBI ID |
17814 |
| Comments |
100 mM D-(-)-Salicin - Sigma-Aldrich
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C13 H18 O7 |
| IUPAC Name |
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]oxane-3,4,5-triol; (2R,3S,4S,5R,6S)-2-methylol-6-(2-methylolphenoxy)tetrahydropyran-3,4,5-triol; (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[2-(hydroxymethyl)phenoxy]tetrahydropyran-3,4,5-triol |
| InChI |
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1 |
| InChIKey |
NGFMICBWJRZIBI-UJPOAAIJSA-N |
| KEGG Compound ID |
C01451 |
| PubChem Compound ID |
439503 |
| SMILES |
C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O; C1=CC=C(C(=C1)CO)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| Source File Reference |
bmse000315 |
