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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O13
Molecular Weight 482.3916
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

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

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)C=C(O)C=C2O

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 482.3916
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 Dec 16 09:40:08 UTC 2023
Edited
by admin
on Sat Dec 16 09:40:08 UTC 2023
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 Dec 16 09:40:09 UTC 2023 , Edited by admin on Sat Dec 16 09:40:09 UTC 2023
PRIMARY
FDA UNII
2A0M9HOF8Z
Created by admin on Sat Dec 16 09:40:09 UTC 2023 , Edited by admin on Sat Dec 16 09:40:09 UTC 2023
PRIMARY
PUBCHEM
76970196
Created by admin on Sat Dec 16 09:40:09 UTC 2023 , Edited by admin on Sat Dec 16 09:40:09 UTC 2023
PRIMARY
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