Phenethylglucosinolate

Molecular Formula: C₁₅H₂₁NO₉S₂

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)/b16-11+/t10-,12-,13+,14-,15+/m1/s1/f/h21H

InChIKey: InChIKey=CKIJIGYDFNXSET-QWOMKPDYDS
SMILES: C1=CC=C(C=C1)CCC(=NOS(=O)(=O)O)SC2C(C(C(C(O2)CO)O)O)O

Names:
    beta-D-Glucopyranose, 1-thio-, 1-(N-(sulfooxy)benzenepropanimidate) (9CI)
    BRN 0062656
    Gluconasturcin
    Gluconasturtiin
    Glucopyranose, 1-thio-, 1-hydrocinnamohydroximate NO-(hydrogen sulfate), beta-D-
    Phenethylglucosinolate
    (2R,3S,4S,5R,6S)-3,4,5-trihydroxy-2-(hydroxymethyl)-6-(C-phenethyl-N-sulfooxy-carbonimidoyl)sulfanyl-oxane
    1-Thioglucopyranose 1-hydrocinnamohydroximate NO-(hydrogen sulfate) beta-D-
    2-Phenethylglucosinolate
    4-17-00-03740 (Beilstein Handbook Reference)
    499-30-9

Registries:
    PubChem CID 9548618
    PubChem ID 206741