Glucobrassicin

Molecular Formula: C₁₆H₂₀N₂O₉S₂

InChI: InChI=1/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/t11-,13-,14+,15-,16+/m1/s1/f/h23H

InChIKey: InChIKey=DNDNWOWHUWNBCK-YAFZIVRVDK
SMILES: C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O

Names:
    C05837
    Glucobrassicin
    3-[[N-sulfooxy-C-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-carbonimidoyl]methyl]-1H-indole

Registries:
    PubChem CID 656506
    PubChem ID 8130