EPIGALLOCATECHIN-3'-GLUCURONIDE

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

Structure Search

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 GMT 2023` Edited by `admin` on `Sat Dec 16 09:40:08 GMT 2023`
Record UNII	2A0M9HOF8Z
Record Status	`Validated (UNII)`
Record Version

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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 GMT 2023 , Edited by admin on Sat Dec 16 09:40:09 GMT 2023

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FDA UNII

2A0M9HOF8Z

Created by admin on Sat Dec 16 09:40:09 GMT 2023 , Edited by admin on Sat Dec 16 09:40:09 GMT 2023

PRIMARY

PUBCHEM

76970196

Created by admin on Sat Dec 16 09:40:09 GMT 2023 , Edited by admin on Sat Dec 16 09:40:09 GMT 2023

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