glucolimnanthin

Molecular Formula: C₁₅H₂₀NO₁₀S₂^-

InChI: InChI=1/C15H21NO10S2/c1-24-9-4-2-3-8(5-9)6-11(16-26-28(21,22)23)27-15-14(20)13(19)12(18)10(7-17)25-15/h2-5,10,12-15,17-20H,6-7H2,1H3,(H,21,22,23)/p-1/t10-,12-,13+,14-,15+/m1/s1/fC15H20NO10S2/q-1

InChIKey: InChIKey=RYDIUEJGEAUJAI-NZJPLWQRDC
SMILES: COc1cccc(CC(S[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=NOS([O-])(=O)=O)c1

CAS number 111810-95-8

Names:
    C08414
    Glucolimnanthin
    glucolimnanthin
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-[C-[(3-methoxyphenyl)methyl]-N-sulfonatooxy-carbonimidoyl]sulfanyl-oxane
    111810-95-8
    3-methoxybenzylglucosinolate

Registries:
    PubChem CID 656548
    Beilstein =4044035
    CAS 111810-95-8 (from NIST)
    ChEBI 5409
    Kegg C08414
    PubChem ID 10610