Analyte Name

4-Biphenylyl-13C6 Glucuronide

Molecular Formula

13C6 C13 H18 O6

Molecular Weight

348.299

Accurate Mass

348.13

SMILES

O[C@@H]1[C@@H](OC#C)O[C@@H](Oc2ccc(cc2)[13c]3[13cH][13cH][13cH][13cH][13cH]3)[C@H](O)[C@H]1O

InChI

InChI=1S/C19H18O6/c1-2-23-18-16(21)15(20)17(22)19(25-18)24-14-10-8-13(9-11-14)12-6-4-3-5-7-12/h1,3-11,15-22H/t15-,16-,17+,18-,19+/m0/s1/i3+1,4+1,5+1,6+1,7+1,12+1

IUPAC

(2R,3R,4S,5S,6S)-2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)phenoxy]-6-ethynoxyoxane-3,4,5-triol

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat