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Substance Name: Miquelianin
RN: 22688-79-5
UNII: RY36PD0CQ2
InChIKey: DUBCCGAQYVUYEU-ZUGPOPFOSA-N

Molecular Formula

  • C21-H18-O13

Molecular Weight

  • 478.3602
 
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Names and Synonyms

Name of Substance

  • Miquelianin
  • Quercetin 3-O-glucopyranoside
  • Quercetin 3-O-glucuronide

Synonyms

  • Mikwelianin
  • Quercetin 3-O-beta-D-glucopyranoside
  • Quercetin 3-O-beta-glucopyranoside
  • Quercetin-3-glucosiduronic acid
  • Quercetin-3-O-beta-D-glucuronide
  • Quercituron
  • Querciturone
  • UNII-RY36PD0CQ2

Systematic Name

  • beta-D-Glucopyranosiduronic acid, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl

Registry Numbers

CAS Registry Number

  • 22688-79-5

FDA UNII

  • RY36PD0CQ2

Other Registry Numbers

  • 1463778-13-3
  • 27253-19-6
  • 30484-87-8
  • 30675-99-1
  • 625835-16-7
  • 778593-28-5
  • 83348-86-1

System Generated Number

  • 0022688795

Structure Descriptors

InChI

InChI=1S/C21H18O13/c22-7-4-10(25)12-11(5-7)32-17(6-1-2-8(23)9(24)3-6)18(13(12)26)33-21-16(29)14(27)15(28)19(34-21)20(30)31/h1-5,14-16,19,21-25,27-29H,(H,30,31)/t14-,15-,16+,19-,21+/m0/s1

InChIKey

DUBCCGAQYVUYEU-ZUGPOPFOSA-N

Smiles

O[C@@H]1[C@@H](O)[C@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)O[C@@H]([C@H]1O)C(=O)O