Nombre del analito

Avenanthramide A Phenolic Glucuronide 2

Fórmula molecular

C22 H21 N O11

Peso molecular

475.402

Masa exacta

475.111

SMILES

O[C@@H]1[C@@H](O)[C@H](Oc2ccc(\C=C\C(=O)Nc3ccc(O)cc3C(=O)O)cc2)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C22H21NO11/c24-11-4-7-14(13(9-11)20(29)30)23-15(25)8-3-10-1-5-12(6-2-10)33-22-18(28)16(26)17(27)19(34-22)21(31)32/h1-9,16-19,22,24,26-28H,(H,23,25)(H,29,30)(H,31,32)/b8-3+/t16-,17-,18+,19-,22+/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-6-[4-[(E)-3-(2-carboxy-4-hydroxyanilino)-3-oxoprop-1-enyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

País de origen

CANADA

Formato del producto

Neat