glucoiberin

InChI: InChI=1/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-10(16)9(15)8(14)6(5-13)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)/p-1/t6-,8-,9+,10-,11+,24?/m1/s1/fC11H20NO10S3/q-1

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

CAS number 554-88-1

Names:
    beta-D-Glucopyranose, 1-thio-,
    beta-D-Glucopyranose, 1-thio-, 1-(4-(methylsulfinyl)-N-(sulfooxy)butanimidate)
    Glucoiberin
    glucoiberin
    3-methylsulfinylpropylglucosinolate

Registries:
    PubChem CID 656542
    CAS 554-88-1 (from NIST)
    ChEBI 5406
    Kegg C08411
    PubChem ID 10607