sulfoglucobrassicin

Molecular Formula: C₁₆H₁₈N₂O₁₂S₃^-2

InChI: InChI=1/C16H20N2O12S3/c19-7-11-13(20)14(21)15(22)16(29-11)31-12(17-30-33(26,27)28)5-8-6-18(32(23,24)25)10-4-2-1-3-9(8)10/h1-4,6,11,13-16,19-22H,5,7H2,(H,23,24,25)(H,26,27,28)/p-2/t11-,13-,14+,15-,16+/m1/s1/fC16H18N2O12S3/q-2

InChIKey: InChIKey=JZFQZINWXSEVSO-QNRMXBRODE
SMILES: OC[C@H]1O[C@@H](SC(Cc2cn(c3ccccc23)S([O-])(=O)=O)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

Names:
    C08428
    glucobrassicin-1-sulfonate
    sulfoglucobrassicin
    (N-Sulfoindol-3-yl)methylglucosinolate
    29702-28-1
    3-[[N-sulfonatooxy-C-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]indole-1-sulfonate

Registries:
    PubChem CID 441536
    ChEBI 27842
    Kegg C08428
    PubChem ID 10623