EPICATECHIN-4'-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O12
Molecular Weight	466.393
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

c1cc(c(cc1[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)O)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O

InChI

InChIKey=FXAMKGHSKXKNHR-CVPXIJHMSA-N

InChI=1S/C21H22O12/c22-8-4-10(23)9-6-12(25)18(31-14(9)5-8)7-1-2-13(11(24)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	466.393
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 13:05:53 UTC 2021` Edited by `admin` on `Sat Jun 26 13:05:53 UTC 2021`
Record UNII	889W20VO9F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPICATECHIN-4'-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-HYDROXY-4-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENOXY)TETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID

Systematic Name

English

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

Common Name

English

(-)-EPICATECHIN-4'-.BETA.-D-GLUCURONIDE

Common Name

English

(-)-EPICATECHIN 4'-GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

76967452

Created by admin on Sat Jun 26 13:05:53 UTC 2021 , Edited by admin on Sat Jun 26 13:05:53 UTC 2021

PRIMARY

FDA UNII

889W20VO9F

Created by admin on Sat Jun 26 13:05:53 UTC 2021 , Edited by admin on Sat Jun 26 13:05:53 UTC 2021

PRIMARY

CAS

1146696-35-6

Created by admin on Sat Jun 26 13:05:53 UTC 2021 , Edited by admin on Sat Jun 26 13:05:53 UTC 2021

PRIMARY

Related Record Type Details


					W2ZU1RY8B0

GREEN TEA LEAF

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

PLASMA; URINE