Sinigrin

Molecular Formula: C₁₀H₁₆KNO₉S₂

InChI: InChI=1/C10H17NO9S2.K/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);/q;+1/p-1/b11-6+;/fC10H16NO9S2.K/q-1;m

InChIKey: InChIKey=QKFAFSGJTMHRRY-CDATZLLIDM
SMILES: C=CCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O.[K+]

Names:
    NSC407279
    potassium 3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    Sinigrin
    3952-98-5

Registries:
    PubChem CID 9601213
    PubChem ID 8141730