N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1

CAS: 499-20-7

Name: Dhurrin

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

SMILES: N#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1

Canonical SMILES: C1=CC(=CC=C1C(C#N)OC2C(C(C(C(O2)CO)O)O)O)O

Molecular formula: C14H17NO7

Molecular weight: 311.29

InChIKey: NVLTYOJHPBMILU-YOVYLDAJSA-N

InChI:

InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10-,11-,12+,13-,14-/m1/s1

PubChem CID: 161355 →

Synonyms

Dhurrin499-20-7P5999IY65C(S)-4-Hydroxymandelonitrile beta-D-glucoside(2S)-2-(4-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile(2S)-(beta-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrileCHEBI:27826DTXSID90198142(alphaS)-alpha-(beta-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile(S)-p-Hydroxymandelnitrile-beta-D-glucopyranoside(2S)-2-(4-hydroxyphenyl)-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyacetonitrileRefChem:132456DTXCID20120633207-878-6(S)-(beta-D-Glucopyranosyloxy)(4-hydroxyphenyl)acetonitrileC14H17NO7MFCD18632527UNII-P5999IY65CEINECS 207-878-6DHURRIN [MI]SCHEMBL50174orb1684649orb3140626Dhurrin, >=95% (HPLC)1e55HY-N8433MSK158578TN15744-Hydroxymandelonitrile-?-D-glucosideAKOS040760368

Extended Search

Substructure Search→Similarity Search→