D-(-)-Salicin

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Systematic / IUPAC Name: 2-(Hydroxymethyl)phenyl β-D-glucopyranoside

ID: Reference1496

Other Names: o-(Hydroxymethyl)phenyl β-D-glucopyranoside;
α-Hydroxy-o-tolyl β-D-glucopyranoside;
β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl;
(2S,4S,5S,3R,6R)-6-(Hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]-2H-3,4,5,6-tetrahydropyran-3,4,5-triol;
2-(Hydroxymethyl)phenyl-O-β-D-glucopyranoside ; more

Formula: C13H18O7

Class: Endogenous Metabolites

Spectral Data

D-(-)-Salicin 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 Elite
No. of Spectral Trees 2
No. of Spectra 365
Tandem Spectra MS1, MS2, MS3
Ionization Methods ESI; NSI
Analyzers FT
Last Modification 12/3/2014 9:49:53 AM
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Identificators

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
InChI Key NGFMICBWJRZIBI-UJPOAAIJSA-N
Canonical SMILES C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
CAS 138523
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Other Names o-(Hydroxymethyl)phenyl β-D-glucopyranoside;
α-Hydroxy-o-tolyl β-D-glucopyranoside;
β-D-Glucopyranoside, 2-(hydroxymethyl)phenyl;
(2S,4S,5S,3R,6R)-6-(Hydroxymethyl)-2-[2-(hydroxymethyl)phenoxy]-2H-3,4,5,6-tetrahydropyran-3,4,5-triol;
2-(Hydroxymethyl)phenyl-O-β-D-glucopyranoside;
Salicin;
Salicine;
Salicyl alcohol glucoside;
Saligenin-β-δ-glucopyranoside

In Other Databases

ChemSpider 388601
HMDb HMDB03546
Wikipedia Salicin
KEGG C01451
ChEMBL CHEMBL462997
PubChem 439503
ChemIDPlus 000138523
ChEBI CHEBI:17814