Analyte Name

Avenanthramide A Acyl Glucuronide Sodium

Molecular Formula

C22H20NO11.Na

Molecular Weight

497.38

Accurate Mass

497.09

SMILES

OC1C(O)C(OC(=O)c2cc(O)ccc2NC(=O)\C=C\c3ccc(O)cc3)OC(C1O)C(=O)O[Na]

InChI

InChI=1S/C22H21NO11.Na/c24-11-4-1-10(2-5-11)3-8-15(26)23-14-7-6-12(25)9-13(14)21(32)34-22-18(29)16(27)17(28)19(33-22)20(30)31;/h1-9,16-19,22,24-25,27-29H,(H,23,26)(H,30,31);/q;+1/p-1/b8-3+;

IUPAC

[3,4,5-Trihydroxy-6-[5-hydroxy-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]benzoyl]oxy-tetrahydropyran-2-carbonyl]oxysodium

Country of Origin

CANADA

Product Format

Neat