Analyte Name

Diosmetin-d3 3-O-beta-D-Glucuronide Triacetate

Molecular Formula

C29 D3 H25 O15

Molecular Weight

619.542

Accurate Mass

619.162

SMILES

[2H]C([2H])([2H])Oc1ccc(cc1O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2OC(=O)C)C(=O)OC)C3=CC(=O)c4c(O)cc(O)cc4O3

InChI

InChI=1S/C29H28O15/c1-12(30)39-24-25(40-13(2)31)27(41-14(3)32)29(44-26(24)28(36)38-5)43-21-8-15(6-7-19(21)37-4)20-11-18(35)23-17(34)9-16(33)10-22(23)42-20/h6-11,24-27,29,33-34H,1-5H3/t24-,25-,26-,27+,29+/m0/s1/i4D3

IUPAC

methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-(trideuteriomethoxy)phenoxy]oxane-2-carboxylate

Unlabelled CAS Number

159355-59-6

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat