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Substance Name: Epigallocatechin-3'-glucuronide
RN: 569670-41-3
UNII: 2A0M9HOF8Z
InChIKey: CQDATFYRGVZXLF-ZVHNUXTDSA-N

Molecular Formula

  • C21-H22-O13

Molecular Weight

  • 482.3918
 
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Names and Synonyms

Name of Substance

  • Epigallocatechin-3'-glucuronide

Synonyms

  • (2S,3S,4S,5R,6S)-6-(2,3-Dihydroxy-5-((2R,3R)-3,5,7-trihydroxychroman-2-yl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • beta-D-Glucopyranosiduronic acid, 5-((2R,3R)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl)-2,3-dihydroxyphenyl
  • Epigallocatechin-3'-glucuronide
  • UNII-2A0M9HOF8Z

Registry Numbers

CAS Registry Number

  • 569670-41-3

FDA UNII

  • 2A0M9HOF8Z

System Generated Number

  • 0569670413

Structure Descriptors

InChI

1S/C21H22O13/c22-7-3-9(23)8-5-11(25)18(32-12(8)4-7)6-1-10(24)14(26)13(2-6)33-21-17(29)15(27)16(28)19(34-21)20(30)31/h1-4,11,15-19,21-29H,5H2,(H,30,31)/t11-,15+,16+,17-,18-,19+,21-/m1/s1

InChIKey

CQDATFYRGVZXLF-ZVHNUXTDSA-N

Smiles

c1c(cc(c(c1O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)[C@@H]3[C@@H](Cc4c(cc(cc4O3)O)O)O