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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O13
Molecular Weight 482.3924
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPIGALLOCATECHIN-3'-GLUCURONIDE

SMILES

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

InChI

InChIKey=CQDATFYRGVZXLF-ZVHNUXTDSA-N
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

HIDE SMILES / InChI

Molecular Formula C21H22O13
Molecular Weight 482.3924
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:49:15 UTC 2021
Edited
by admin
on Sat Jun 26 14:49:15 UTC 2021
Record UNII
2A0M9HOF8Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPIGALLOCATECHIN-3'-GLUCURONIDE
Common Name English
(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
Systematic Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-((2R,3R)-3,4-DIHYDRO-3,5,7-TRIHYDROXY-2H-1-BENZOPYRAN-2-YL)-2,3-DIHYDROXYPHENYL
Common Name English
Code System Code Type Description
CAS
569670-41-3
Created by admin on Sat Jun 26 14:49:15 UTC 2021 , Edited by admin on Sat Jun 26 14:49:15 UTC 2021
PRIMARY
FDA UNII
2A0M9HOF8Z
Created by admin on Sat Jun 26 14:49:15 UTC 2021 , Edited by admin on Sat Jun 26 14:49:15 UTC 2021
PRIMARY
PUBCHEM
76970196
Created by admin on Sat Jun 26 14:49:15 UTC 2021 , Edited by admin on Sat Jun 26 14:49:15 UTC 2021
PRIMARY
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