Sinalbin

[(Science: chemistry) A glucoside found in the seeds of white mustard (brassica alba, formerly sinapis alba), and extracted as a white crystalline substance. Origin: From L. Sinapis _ alba.

Molecular Formula: C₁₄H₁₈NO₁₀S₂^-

InChI: InChI=1/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/p-1/t9-,11-,12+,13-,14+/m1/s1/fC14H18NO10S2/q-1

InChIKey: InChIKey=WWBNBPSEKLOHJU-UIVXNSLJDM
SMILES: C1=CC(=CC=C1CC(=NOS(=O)(=O)[O-])SC2C(C(C(C(O2)CO)O)O)O)O

Names:
    C08426
    Sinalbin
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[C-[(4-hydroxyphenyl)methyl]-N-sulfonatooxy-carbonimidoyl]sulfanyl-oxane
    20196-67-2

Registries:
    PubChem CID 656567
    PubChem ID 10621