Analyte Name

1-(4-Hydroxybenzoyl)glucuronide

CAS Number

72877-64-6

Molecular Formula

C13 H14 O9

Molecular Weight

314.245

Accurate Mass

314.064

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)c2ccc(O)cc2)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C13H14O9/c14-6-3-1-5(2-4-6)12(20)22-13-9(17)7(15)8(16)10(21-13)11(18)19/h1-4,7-10,13-17H,(H,18,19)/t7-,8-,9+,10-,13-/m0/s1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxybenzoyl)oxyoxane-2-carboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat