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Substance Name: Benzoyl glucuronide
RN: 19237-53-7
UNII: OC94T61O9A
InChIKey: NLOPFVNXNMEEDI-UNLLLRGISA-N

Molecular Formula

  • C13-H14-O8

Molecular Weight

  • 298.246
 
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Names and Synonyms

Name of Substance

  • Benzoyl glucuronide

Synonym

  • UNII-OC94T61O9A

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-benzoate

Registry Numbers

CAS Registry Number

  • 19237-53-7

FDA UNII

  • OC94T61O9A

System Generated Number

  • 0019237537

Structure Descriptors

InChI

1S/C13H14O8/c14-7-8(15)10(11(17)18)20-13(9(7)16)21-12(19)6-4-2-1-3-5-6/h1-5,7-10,13-16H,(H,17,18)/t7-,8-,9+,10-,13-/m0/s1

InChIKey

NLOPFVNXNMEEDI-UNLLLRGISA-N

Smiles

O1[C@@H]([C@H]([C@H](O)[C@H](O)[C@@H]1OC(c1ccccc1)=O)O)C(O)=O