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Substance Name: Vacciniin
RN: 90-75-5
UNII: X76EOC769A
InChIKey: MRDRXKCKIMVUHN-BZNQNGANSA-N

Note

  • From roots of Polygala tricornis.

Molecular Formula

  • C13-H16-O7

Molecular Weight

  • 284.2624
 
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Names and Synonyms

Name of Substance

  • Vacciniin

Synonyms

  • 6-Benzoyl-D-glucose
  • beta-D-Glucopyranose, 6-benzoate
  • UNII-X76EOC769A
  • Vacciniin
  • Vacciniin [MI]

Registry Numbers

CAS Registry Number

  • 90-75-5

FDA UNII

  • X76EOC769A

System Generated Number

  • 0000090755

Structure Descriptors

InChI

1S/C13H16O7/c14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13-/m1/s1

InChIKey

MRDRXKCKIMVUHN-BZNQNGANSA-N

Smiles

c1ccc(cc1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 121 deg C   EXP

Physical property data is provided to ChemIDplus by SRC, Inc.