Dhurrin

Molecular Formula: C₁₄H₁₇NO₇

InChI: InChI=1/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

InChIKey: InChIKey=NVLTYOJHPBMILU-YOVYLDAJBT
SMILES: OC[C@H]1O[C@@H](O[C@H](C#N)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 499-20-7

Names:
    C05143
    Dhurrin
    (S)-(β-D-glucopyranosyloxy)(4-hydroxyphenyl)acetonitrile
    (S)-4-Hydroxymandelonitrile beta-D-glucoside
    (S)-4-hydroxymandelonitrile beta-D-glucoside
    (S)-4-hydroxymandelonitrile β-D-glucoside
    (αS)-α-(β-D-glucopyranosyloxy)-4-hydroxybenzeneacetonitrile
    (2S)-2-(4-hydroxyphenyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-acetonitrile
    499-20-7

Registries:
    PubChem CID 161355
    Beilstein =92611
    CAS 499-20-7 (from NIST)
    ChEBI 27826
    Kegg C05143
    PubChem ID 7561