Salicyl acyl glucuronide

CAS Registry Number®

29315-53-5

CAS Name

Salicyl acyl glucuronide

Molecular Formula

C13H14O9

Molecular Mass

314.24

Cite this Page

Salicyl acyl glucuronide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=29315-53-5 (retrieved 2024-11-24) (CAS RN: 29315-53-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H14O9/c14-6-4-2-1-3-5(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

InChIKey

InChIKey=IXVVXKRKCLJCKA-UNLLLRGISA-N

SMILES

O(C(=O)C1=C(O)C=CC=C1)[C@@H]2O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]2O

Canonical SMILES

O=C(O)C1OC(OC(=O)C=2C=CC=CC2O)C(O)C(O)C1O

Other Names for this Substance

  • β-D-Glucopyranuronic acid, 1-(2-hydroxybenzoate)
  • Glucopyranosiduronic acid, 1-salicylate, β-D-
  • Salicylic acid glucuronide
  • Salicylic acid, β-D-glucopyranuronosyl ester
  • Salicyl acyl glucuronide

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