Analyte Name

Methyl Paraben beta-D-Glucuronide-13C6

Molecular Formula

13C6 C8 H16 O9

Molecular Weight

334.227

Accurate Mass

334.1

SMILES

COC(=O)[13c]1[13cH][13cH][13c](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)[13cH][13cH]1

InChI

InChI=1S/C14H16O9/c1-21-13(20)6-2-4-7(5-3-6)22-14-10(17)8(15)9(16)11(23-14)12(18)19/h2-5,8-11,14-17H,1H3,(H,18,19)/t8-,9-,10+,11-,14+/m0/s1/i2+1,3+1,4+1,5+1,6+1,7+1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxycarbonyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxyoxane-2-carboxylic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat