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Substance Name: Quercetagitrin
RN: 548-75-4
UNII: 4DX1W79Z8Y
InChIKey: IDTDRZPBDLMCLB-HSOQPIRZSA-N

Molecular Formula

  • C21-H20-O13

Molecular Weight

  • 480.376
 
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Names and Synonyms

Results Name

  • Quercetagitrin

Name of Substance

  • Quercetagitrin

Synonyms

  • Quercetagetin-7-O-glucoside
  • Quercetagitrin
  • UNII-4DX1W79Z8Y

Systematic Name

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5,6-trihydroxy-

Registry Numbers

CAS Registry Number

  • 548-75-4

FDA UNII

  • 4DX1W79Z8Y

System Generated Number

  • 0000548754

Structure Descriptors

InChI

1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1

InChIKey

IDTDRZPBDLMCLB-HSOQPIRZSA-N

Smiles

OC[C@H]1O[C@@H](Oc2cc3OC(=C(O)C(=O)c3c(O)c2O)c4ccc(O)c(O)c4)[C@H](O)[C@@H](O)[C@@H]1O