Isoamygdalin

Amygdalin A cyanogenic glycoside found in the seeds of Rosaceae.

[1. A cyanogenic glucoside present in almonds and seeds of other plants of the family Rosaceae; the principal component of laetrile. Emulsin splits amygdalin into benzaldehyde, d-glucose, and hydrocyanic acid.

Molecular Formula: C₂₀H₂₇NO₁₁

InChI: InChI=1/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

InChIKey: InChIKey=XUCIJNAGGSZNQT-UHFFFAOYAF
SMILES: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O

Names:
    AMYGDALIN, (DL)
    amygdalin
    Benzeneacetonitrile, .alpha.-[ (6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosyl)oxy] -
    Benzeneacetonitrile, .alpha.-[(6-O-.beta.-D-glucopyranosyl-.beta.-D-gluco-pyranosyl)oxy ]-
    DL-Amygdalin
    Isoamygdalin
    NSC 251222
    NSC251222
    2-phenyl-2-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-acetonitrile
    51371-34-7

Registries:
    PubChem CID 2180
    PubChem ID 137432