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Substance Name: 4'-Methyl-epigallocatechin-7-glucuronide
RN: 1038922-74-5
UNII: P0PUY7ZN10
InChIKey: DIBOSYWBDWWWDM-HAQXZMAGSA-N

Molecular Formula

  • C22-H24-O13

Molecular Weight

  • 496.4186
 
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Names and Synonyms

Name of Substance

  • 4'-Methyl-epigallocatechin-7-glucuronide

Synonyms

  • (2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,5-Dihydroxy-4-methoxyphenyl)-3,5-dihydroxychroman-7-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
  • 4'-Methyl-epigallocatechin-7-glucuronide
  • beta-D-Glucopyranosiduronic acid, (2R,3R)-2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-3,5-dihydroxy-2H-1-benzopyran-7-yl
  • UNII-P0PUY7ZN10

Registry Numbers

CAS Registry Number

  • 1038922-74-5

FDA UNII

  • P0PUY7ZN10

System Generated Number

  • 1038922745

Structure Descriptors

InChI

1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1

InChIKey

DIBOSYWBDWWWDM-HAQXZMAGSA-N

Smiles

COc1c(cc(cc1O)[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