gluconapin

Molecular Formula: C11H18NO9S2-


InChI: InChI=1/C11H19NO9S2/c1-2-3-4-7(12-21-23(17,18)19)22-11-10(16)9(15)8(14)6(5-13)20-11/h2,6,8-11,13-16H,1,3-5H2,(H,17,18,19)/p-1/t6-,8-,9+,10-,11+/m1/s1/fC11H18NO9S2/q-1

InChIKey: InChIKey=PLYQBXHVYUJNQB-HJOQGFDGDV
SMILES: OC[C@H]1O[C@@H](SC(CCC=C)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 19041-09-9

Names:
    but-3-enylglucosinolate
    C08415
    Gluconapin
    gluconapin
    (2S,3R,4S,5S,6R)-2-(C-but-3-enyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxane
    19041-09-9
    3-butenylglucosinolate

Registries:
    PubChem CID 656550
    CAS 19041-09-9 (from NIST)
    ChEBI 5411
    Kegg C08415
    PubChem ID 10611