Analyte Name

3'-O-Methyl Quercetin 3-O-beta-D-Glucuronide-d3

Molecular Formula

C22 D3 H17 O13

Molecular Weight

495.405

Accurate Mass

495.109

SMILES

[2H]C([2H])([2H])Oc1cc(ccc1O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)O)C(=O)c4c(O)cc(O)cc4O2

InChI

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1/i1D3

IUPAC

(2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-[4-hydroxy-3-(trideuteriomethoxy)phenyl]-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

Unlabelled CAS Number

36687-76-0

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat