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Substance Name: Epigallocatechin-7-glucuronide
RN: 569670-42-4
UNII: 629O3H07D9
InChIKey: DMDNCGKEYCRXOR-CVPXIJHMSA-N

Molecular Formula

  • C21-H22-O13

Molecular Weight

  • 482.3918
 
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Names and Synonyms

Name of Substance

  • Epigallocatechin-7-glucuronide

Synonyms

  • (2S,3S,4S,5R,6S)-6-(((2R,3R)-3,5-Dihydroxy-2-(3,4,5-trihydroxyphenyl)chroman-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • beta-D-Glucopyranosiduronic acid, (2R,3R)-3,4-dihydro-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-7-yl
  • Epigallocatechin-7-glucuronide
  • UNII-629O3H07D9

Registry Numbers

CAS Registry Number

  • 569670-42-4

FDA UNII

  • 629O3H07D9

System Generated Number

  • 0569670424

Structure Descriptors

InChI

1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

InChIKey

DMDNCGKEYCRXOR-CVPXIJHMSA-N

Smiles

c1c(cc(c(c1O)O)O)[C@@H]2[C@@H](Cc3c(cc(cc3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O