prunasin

Molecular Formula: C₁₄H₁₇NO₆

InChI: InChI=1/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-/m1/s1

InChIKey: InChIKey=ZKSZEJFBGODIJW-MXNNCRBYBG
SMILES: OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 138-53-4

Names:
    D,L-mandelonitrile-β-D-glucoside
    mandelonitrile glucoside
    mandelonitrile β-D-glucopyranoside
    mandelonitrile β-D-glucoside
    prulaurasin
    prunasin
    α-(β-D-glucopyranosyloxy)benzeneacetonitrile
    2-phenyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-acetonitrile

Registries:
    PubChem CID 120639
    Beilstein =9142960
    CAS 138-53-4 (from NIST)
    ChEBI 25150
    PubChem ID 10239172