phenethylglucosinolate

Molecular Formula: C₁₅H₂₀NO₉S₂^-

InChI: InChI=1/C15H21NO9S2/c17-8-10-12(18)13(19)14(20)15(24-10)26-11(16-25-27(21,22)23)7-6-9-4-2-1-3-5-9/h1-5,10,12-15,17-20H,6-8H2,(H,21,22,23)/p-1/t10-,12-,13+,14-,15+/m1/s1/fC15H20NO9S2/q-1

InChIKey: InChIKey=CKIJIGYDFNXSET-FVBUHXTFDB
SMILES: OC[C@H]1O[C@@H](SC(CCc2ccccc2)=NOS([O-])(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O

CAS number 499-30-9

Names:
    C08417
    Gluconasturtiin
    gluconasturtiin
    phenethylglucosinolate
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-phenethyl-N-sulfonatooxy-carbonimidoyl)sulfanyl-oxane
    2-phenylethylglucosinolate
    499-30-9

Registries:
    PubChem CID 656554
    Beilstein =3746836
    CAS 499-30-9 (from NIST)
    ChEBI 5413
    Kegg C08417
    PubChem ID 10613