Glucoraphanin

Molecular Formula: C₁₂H₂₂NO₁₀S₃^-

InChI: InChI=1/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/p-1/t7-,9-,10+,11-,12+,25u/m1/s1/fC12H22NO10S3/q-1

InChIKey: InChIKey=GMMLNKINDDUDCF-WINCDXGZDV
SMILES: CS(=O)CCCCC(=NOS(=O)(=O)[O-])SC1C(C(C(C(O1)CO)O)O)O

Names:
    beta-D-Glucopyranose, 1-thio-,1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate)
    C08419
    Glucoraphanin
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-(4-methylsulfinylbutyl)-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    21414-41-5

Registries:
    PubChem CID 656556
    PubChem ID 10615