Nombre del analito

Avenanthramide A Phenolic Glucuronide 1

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(NC(=O)\C=C\c3ccc(O)cc3)c(c2)C(=O)O)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C22H21NO11/c24-11-4-1-10(2-5-11)3-8-15(25)23-14-7-6-12(9-13(14)20(29)30)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-[3-carboxy-4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

País de origen

CANADA

Formato del producto

Neat