Analyte Name

Avenanthramide B-D3

Molecular Formula

C17 D3 H12 N O6

Molecular Weight

332.323

Accurate Mass

332.109

SMILES

[2H]C([2H])([2H])Oc1cc(\C=C\C(=O)Nc2ccc(O)cc2C(=O)O)ccc1O

InChI

InChI=1S/C17H15NO6/c1-24-15-8-10(2-6-14(15)20)3-7-16(21)18-13-5-4-11(19)9-12(13)17(22)23/h2-9,19-20H,1H3,(H,18,21)(H,22,23)/b7-3+/i1D3

IUPAC

5-hydroxy-2-[[(E)-3-[4-hydroxy-3-(trideuteriomethoxy)phenyl]prop-2-enoyl]amino]benzoic acid

SIL Type

Deuterium

Country of Origin

CANADA

Product Format

Neat