progoitrin

Molecular Formula: C11H18NO10S2-


InChI: InChI=1/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/p-1/t5-,6+,8+,9-,10+,11-/m0/s1/fC11H18NO10S2/q-1

InChIKey: InChIKey=MYHSVHWQEVDFQT-ASEZLZOFDX
SMILES: OC[C@H]1O[C@@H](SC(C[C@@H](O)C=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 585-95-5

Names:
    C08425
    Progoitrin
    progoitrin
    (R)-2-hydroxybut-3-enylglucosinolate
    (R)-2-hydroxy-3-butenylglucosinolate
    (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-2-[C-[(2R)-2-hydroxybut-3-enyl]-N-sulfonatooxy-carbonimidoyl]sulfanyl-6-(hydroxymethyl)oxane
    585-95-5

Registries:
    PubChem CID 656566
    Beilstein =6133031
    CAS 585-95-5 (from NIST)
    ChEBI 8454
    Kegg C08425
    PubChem ID 10620