EPIGALLOCATECHIN-7-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-7-GLUCURONIDE

Structure Search

SMILES

O[C@@H]1CC2=C(O)C=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C=C2O[C@@H]1C4=CC(O)=C(O)C(O)=C4

InChI

InChIKey=DMDNCGKEYCRXOR-CVPXIJHMSA-N

InChI=1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,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 `Mon Mar 31 22:42:57 GMT 2025` Edited by `admin` on `Mon Mar 31 22:42:57 GMT 2025`
Record UNII	629O3H07D9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPIGALLOCATECHIN-7-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(((2R,3R)-3,5-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)CHROMAN-7-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Preferred Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,3R)-3,4-DIHYDRO-3,5-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-7-YL

Common Name

English

Code System Code Type Description

FDA UNII

629O3H07D9

Created by admin on Mon Mar 31 22:42:57 GMT 2025 , Edited by admin on Mon Mar 31 22:42:57 GMT 2025

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EPA CompTox

DTXSID101341604

Created by admin on Mon Mar 31 22:42:57 GMT 2025 , Edited by admin on Mon Mar 31 22:42:57 GMT 2025

PRIMARY

PUBCHEM

76959109

Created by admin on Mon Mar 31 22:42:57 GMT 2025 , Edited by admin on Mon Mar 31 22:42:57 GMT 2025

PRIMARY

CAS

569670-42-4

Created by admin on Mon Mar 31 22:42:57 GMT 2025 , Edited by admin on Mon Mar 31 22:42:57 GMT 2025

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