Isoferulic Acid 3-O-beta-D-Glucuronide

Analyte Name

Isoferulic Acid 3-O-Beta-D-Glucuronide

CAS Number

1065272-10-7

Molecular Formula

C16H18O10

Molecular Weight

370.31

Accurate Mass

370.09

SMILES

COC1=C(C=C(C=C1)C=CC(=O)O)OC2C(C(C(C(O2)C(=O)O)O)O)O

InChI

InChI=1S/C16H18O10/c1-24-8-4-2-7(3-5-10(17)18)6-9(8)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)

IUPAC

6-[5-(2-carboxyethenyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)