1-Methoxy-3-Indolylmethylglucosinolate
[CAS# 5187-84-8]

Identification

• Name: 1-Methoxy-3-Indolylmethylglucosinolate
• Synonyms: C08424; Neoglucobrassicin
• Molecular Formula: C₁₇H₂₁N₂O₁₀S₂
• Molecular Weight: 477.48
• CAS Registry Number: 5187-84-8
• SMILES: [C@@H]3(SC(=N/O[S]([O-])(=O)=O)\CC1=C[N](OC)C2=C1C=CC=C2)O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)CO
• InChI: 1S/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-11(10)19)6-13(18-29-31(24,25)26)30-17-16(23)15(22)14(21)12(8-20)28-17/h2-5,7,12,14-17,20-23H,6,8H2,1H3,(H,24,25,26)/p-1/b18-13-/t12-,14-,15+,16-,17+/m1/s1
• InChIKey: PKKMITFKYRCCOL-JMZFCNQTSA-M