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Substance Name: Epicatechin-7-glucuronide
RN: 389136-63-4
UNII: 2HIH3MX5PY
InChIKey: FDWDKTKDGDLDTP-BBGDWMAASA-N

Molecular Formula

  • C21-H22-O12

Molecular Weight

  • 466.3928
 
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Names and Synonyms

Name of Substance

  • Epicatechin-7-glucuronide

Synonyms

  • (-)-Epicatechin 7-glucuronide
  • (-)-Epicatechin-7-beta-D-glucuronide
  • (-)-Epicatechin-7-o-glucuronide
  • (2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-Dihydroxyphenyl)-3,5-dihydroxychroman-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • beta-D-Glucopyranosiduronic acid, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl
  • Epicatechin 7-o-beta-D-glucuronide
  • Epicatechin-7-glucuronide
  • UNII-2HIH3MX5PY

Registry Numbers

CAS Registry Number

  • 389136-63-4

FDA UNII

  • 2HIH3MX5PY

System Generated Number

  • 0389136634

Structure Descriptors

InChI

1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

InChIKey

FDWDKTKDGDLDTP-BBGDWMAASA-N

Smiles

c1cc(c(cc1[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)O)O