Products 7695-70-7

CAS 7695-70-7 appears in our catalog under these names: (2S,3S,4S,5R)-6-(2-Carboxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid, 98%, Salicylic Acid Phenolic beta-D-Glucuronide, Salicylic Acid beta-D-O-Glucuronide, 1-Salicylate Glucuronide, 1–Salicylate Glucuronide. Offered by: Chemat Brand, TRC, TargetMol, GLPBio, Biosynth. Available pack sizes: on request, 50mg, 5mg, 1mg, 2mg, 10mg, 25mg, 1 mg.

Structural formula: {0} (CAS {1})

1-salicylate glucuronide is a beta-D-glucosiduronic acid that is the glucuronide conjugate of salicyclic acid. It has a role as a metabolite. It is a beta-D-glucosiduronic acid and a member of benzoic acids. It is functionally related to a salicylic acid. It is a conjugate acid of a 1-salicylate O-glucuronide(1-).

Source: ChEBI

Identity
Molecular formulaC13H14O9
Molecular weight314.24 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-(2-carboxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyJSCWDKKMLIQCMR-CDHFTJPESA-N
SMILESC1=CC=C(C(=C1)C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O

Computed by PubChem (NCBI)