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
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