Analyte Name

4-Methoxyglucobrassicin

CAS Number

83327-21-3

Molecular Formula

C17H22N2O10S2

Molecular Weight

478.49

Accurate Mass

478.07

SMILES

C(C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(=O)(=O)O)C=2C=3C(NC2)=CC=CC3OC

InChI

InChI=1S/C17H22N2O10S2/c1-27-10-4-2-3-9-13(10)8(6-18-9)5-12(19-29-31(24,25)26)30-17-16(23)15(22)14(21)11(7-20)28-17/h2-4,6,11,14-18,20-23H,5,7H2,1H3,(H,24,25,26)/b19-12-/t11-,14-,15+,16-,17+/m1/s1

IUPAC

((((Z)-2-(4-methoxy-1H-indol-3-yl)-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)ethylidene)amino)oxy)sulfonic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat