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(R)-amygdalin

AlkaPlorer ID: AK003498

Synonym: '', '(R)-Amygdalin', 'D(-)-Mandelonitrile-.beta.-D-gentiobioside', '(-)-D-mandelonitrile beta-D-gentiobioside', 'Mandelonitrile-.beta.-gentiobioside', 'D-amygdalin', 'Benzeneacetonitrile, .alpha.-(6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy-, (R)-', 'D-mandelonitrile-beta-D-glucosido-6-beta-D-glucoside', '(R)-Laenitrile', 'Mandelonitrile ?-gentiobioside', 'AMYGDALIN', 'Benzeneacetonitrile, .alpha.-((6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy)-, (R)-', 'D-(-)-mandelonitrile-beta-D-gentiobioside', '(R)-Amygdaloside', '(R)-amygdalin', 'Amygdaloside', 'D-Amygdalin', 'Amygdalin'

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

Structure

SMILES: N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1

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InChI: InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1

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InChIKey: XUCIJNAGGSZNQT-UUGBRMIUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Prunus serotina Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 457.4320000000001

TPSA？: 202.32

MolLogP？: -3.108019999999997

Number of H-Donors: 7

Number of H-Acceptors: 12

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015714 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#CC(O)c1ccccc1 enzymemap_61125
AKRT015715 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#CC(O)c1ccccc1.OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O None
AKRT015716 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 enzymemap_58912
AKRT015717 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O None
AKRT015718 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O None
AKRT015719 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 enzymemap_45417
AKRT015720 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_58912
AKRT015721 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_61125
AKRT015722 N#C[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1>>OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O enzymemap_61125