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+;/t5-,7-,8+,9-,10+;/m1./s1/fC10H16NO9S2.K/q-1;m

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

Names:
    Allyl glucosinolate
    beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)-3-butenimidate), monopotassium salt (9CI)
    CCRIS 3715
    EINECS 223-545-8
    Glucoside of allyl isothiocyanate
    NSC 407279
    NSC 90774
    potassium (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-prop-2-enyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    Potassium 1-(beta-D-glucopyranosylthio)but-3-enylideneaminooxysulphonate
    Sinigrin
    2-Propenyl glucosinolate

Registries:
    PubChem CID 9571118
    PubChem ID 215746