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Substance Name: Salicylacyl glucuronide
RN: 29315-53-5
InChIKey: IXVVXKRKCLJCKA-UNLLLRGISA-N

Molecular Formula

  • C13-H14-O9

Molecular Weight

  • 314.245
 
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Names and Synonyms

Name of Substance

  • Salicylacyl glucuronide

Synonyms

  • Acyl SA glucuronide
  • Salicyl acyl glucuronide

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(2-hydroxybenzoate)

Registry Numbers

CAS Registry Number

  • 29315-53-5

System Generated Number

  • 0029315535

Structure Descriptors

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

IXVVXKRKCLJCKA-UNLLLRGISA-N

Smiles

O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)C(=O)O)OC(c1c(cccc1)O)=O