Analyte Name

Apigenin 4'-O-beta-D-Glucuronide

CAS Number

51771-57-4

Molecular Formula

C21 H18 O11

Molecular Weight

446.361

Accurate Mass

446.085

SMILES

O[C@H]1[C@H](Oc2ccc(cc2)C3=CC(=O)c4c(O)cc(O)cc4O3)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O

InChI

InChI=1S/C21H18O11/c22-9-5-11(23)15-12(24)7-13(31-14(15)6-9)8-1-3-10(4-2-8)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

IUPAC

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

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat