glucocheirolin

Molecular Formula: C₁₁H₂₀NO₁₁S₃^-

InChI: InChI=1/C11H21NO11S3/c1-25(17,18)4-2-3-7(12-23-26(19,20)21)24-11-10(16)9(15)8(14)6(5-13)22-11/h6,8-11,13-16H,2-5H2,1H3,(H,19,20,21)/p-1/t6-,8-,9+,10-,11+/m1/s1/fC11H20NO11S3/q-1

InChIKey: InChIKey=OFKKQTQFWWIRBD-WKOYAZCRDC
SMILES: CS(=O)(=O)CCCC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS([O-])(=O)=O

CAS number 15592-36-6

Names:
    C08405
    Glucocheirolin
    glucocheirolin
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-(3-methylsulfonylpropyl)-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    15592-36-6
    4-methylsulfonylbutylglucosinolate

Registries:
    PubChem CID 656530
    Beilstein =5664221
    CAS 15592-36-6 (from NIST)
    ChEBI 5400
    Kegg C08405
    PubChem ID 10601