glucoiberverin

Molecular Formula: C₁₁H₂₀NO₉S₃^-

InChI: InChI=1/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-10(16)9(15)8(14)6(5-13)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)/p-1/t6-,8-,9+,10-,11+/m1/s1/fC11H20NO9S3/q-1

InChIKey: InChIKey=ZCZCVJVUJGULMO-XWGUZZEUDM
SMILES: CSCCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

CAS number 26888-03-9

Names:
    C08412
    Glucoiberverin
    glucoiberverin
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-(3-methylsulfanylpropyl)-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    26888-03-9
    3-methylthiopropylglucosinolate

Registries:
    PubChem CID 656544
    CAS 26888-03-9 (from NIST)
    ChEBI 5407
    Kegg C08412
    PubChem ID 10608