4-methoxyindol-3-ylmethylglucosinolate

Molecular Formula: C₁₇H₂₁N₂O₁₀S₂^-

InChI: InChI=1/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/p-1/t11-,14-,15+,16-,17+/m1/s1/fC17H21N2O10S2/q-1

InChIKey: InChIKey=IIAGSABLXRZUSE-ISVXRRFQDY
SMILES: COc1cccc2[nH]cc(CC(S[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=NOS([O-])(=O)=O)c12

Names:
    C08423
    1-S-[2-(4-methoxy-1H-indol-2-yl)-N-(sulfonatooxy)ethanimidoyl]-1-
    4-Methoxyglucobrassicin
    4-methoxyglucobrassicin
    4-methoxyindol-3-ylmethylglucosinolate
    4-methoxy-3-indolylmethylglucosinolate
    4-methoxy-3-[[N-sulfonatooxy-C-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]-1H-indole
    83327-21-3

Registries:
    PubChem CID 656562
    ChEBI 1890
    Kegg C08423
    PubChem ID 10618