Analyte Name

Bis(4-hydroxyphenyl) Sulfone O-beta-D-Glucuronide-13C12

Molecular Formula

13C12 C6 H18 O10 S

Molecular Weight

438.306

Accurate Mass

438.102

SMILES

O[C@@H]1[C@@H](O)[C@H](O[13c]2[13cH][13cH][13c]([13cH][13cH]2)S(=O)(=O)[13c]3[13cH][13cH][13c](O)[13cH][13cH]3)O[C@@H]([C@H]1O)C(=O)O

InChI

InChI=1S/C18H18O10S/c19-9-1-5-11(6-2-9)29(25,26)12-7-3-10(4-8-12)27-18-15(22)13(20)14(21)16(28-18)17(23)24/h1-8,13-16,18-22H,(H,23,24)/t13-,14-,15+,16-,18+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1

IUPAC

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)sulfonyl(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 Type

Stable Isotope Labelled

Product Format

Neat