4-hydroxyindol-3-ylmethylglucosinolate

Molecular Formula: C16H19N2O10S2-


InChI: InChI=1/C16H20N2O10S2/c19-6-10-13(21)14(22)15(23)16(27-10)29-11(18-28-30(24,25)26)4-7-5-17-8-2-1-3-9(20)12(7)8/h1-3,5,10,13-17,19-23H,4,6H2,(H,24,25,26)/p-1/t10-,13-,14+,15-,16+/m1/s1/fC16H19N2O10S2/q-1

InChIKey: InChIKey=CSMYCLLHRFFFLG-NTIGDTREDX
SMILES: OC[C@H]1O[C@@H](SC(Cc2c[nH]c3cccc(O)c23)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

Names:
    C08422
    4-Hydroxyglucobrassicin
    4-hydroxyglucobrassicin
    4-hydroxyindol-3-ylmethylglucosinolate
    4-hydroxy-3-[[N-sulfonatooxy-C-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]-1H-indole
    83327-20-2

Registries:
    PubChem CID 656560
    ChEBI 1865
    Kegg C08422
    PubChem ID 10617