(R)-Prunasin

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Systematic / IUPAC Name: (2R)-2-Phenyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile

ID: Reference5830

Other Names: (-)-(2R)-Prunasin;
(R)-Prunasin;
α-(β-D-Glucopyranosyloxy)benzeneacetonitrile;
D-Prunasin;
(2R)-(β-D-Glucopyranosyloxy)(phenyl)acetonitrile ; more

Formula: C14H17NO6

Class: Endogenous Metabolites

Spectral Data

(R)-Prunasin 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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/22/2022 1:05:04 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9-,10+,11+,12-,13+,14+/m0/s1
InChI Key ZKSZEJFBGODIJW-GMDXDWKASA-N
Canonical SMILES C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O
CAS 99183
Splash
Other Names (-)-(2R)-Prunasin;
(R)-Prunasin;
α-(β-D-Glucopyranosyloxy)benzeneacetonitrile;
D-Prunasin;
(2R)-(β-D-Glucopyranosyloxy)(phenyl)acetonitrile;
(R)-(β-D-Glucopyranosyloxy)phenylacetonitrile;
(R)-α-(β-D-Glucopyranosyloxy)benzene-acetonitrile;
(R)-Mandelonitrile β-D-glucopyranoside;
(R)-Mandelonitrile β-D-glucoside;
Benzeneacetonitrile, α-(β-D-glucopyranosyloxy)-, (R)-(9CI);
D-Mandelonitrile-β-D-glucoside

In Other Databases

KEGG C00844
Wikipedia Prunasin
ChEBI CHEBI:17396
HMDb HMDB0034934
PubChem 119033; 119033
ChemSpider 106360
ChemIDPlus 000099183
ChEMBL CHEMBL1778417; U106022