EPICATECHIN-3'-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O12
Molecular Weight	466.3922
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BUONZQIZWIITTB-CVPXIJHMSA-N

InChI=1S/C21H22O12/c22-8-4-11(24)9-6-12(25)18(31-13(9)5-8)7-1-2-10(23)14(3-7)32-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,12,15-19,21-28H,6H2,(H,29,30)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O12
Molecular Weight	466.3922
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 22:54:09 GMT 2025` Edited by `admin` on `Mon Mar 31 22:54:09 GMT 2025`
Record UNII	95809LUS8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPICATECHIN-3'-GLUCURONIDE

Common Name

English

(-)-EPICATECHIN 3'-GLUCURONIDE

Preferred Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-HYDROXY-5-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENOXY)TETRAHYDRO-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-HYDROXYPHENYL

Common Name

English

(-)-EPICATECHIN-3'-.BETA.-D-GLUCURONIDE

Common Name

English

(-)-EPICATECHIN-3'-O-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(2,3-DIHYDROXY-5-((2S,3S)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENOXY)-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

76969982