4'-METHYLEPICATECHIN-7-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24O12
Molecular Weight	480.4188
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-METHYLEPICATECHIN-7-GLUCURONIDE

Structure Search

SMILES

COC1=C(O)C=C(C=C1)[C@H]2OC3=C(C[C@H]2O)C(O)=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3

InChI

InChIKey=CJPIUMOCTBARLM-ZRRVXMDUSA-N

InChI=1S/C22H24O12/c1-31-14-3-2-8(4-12(14)24)19-13(25)7-10-11(23)5-9(6-15(10)33-19)32-22-18(28)16(26)17(27)20(34-22)21(29)30/h2-6,13,16-20,22-28H,7H2,1H3,(H,29,30)/t13-,16+,17+,18-,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H24O12
Molecular Weight	480.4188
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 09:41:16 UTC 2023` Edited by `admin` on `Sat Dec 16 09:41:16 UTC 2023`
Record UNII	WMH2N885CL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-METHYLEPICATECHIN-7-GLUCURONIDE

Common Name

English

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

Common Name

English

4'-O-METHYLEPICATECHIN-7-O-.BETA.-D-GLUCURONIDE

Common Name

English

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

Systematic Name

English

4'-O-METHYL-(-)-EPICATECHIN-7-GLUCURONIDE

Common Name

English

4'-O-METHYL-(-)-EPICATECHIN-7-.BETA.-D-GLUCURONIDE

Common Name

English

4'-O-METHYL-(-)-EPICATECHIN 7-GLUCURONIDE

Common Name

English

Code System Code Type Description

PUBCHEM

101244288

Created by admin on Sat Dec 16 09:41:16 UTC 2023 , Edited by admin on Sat Dec 16 09:41:16 UTC 2023

PRIMARY

FDA UNII

WMH2N885CL

Created by admin on Sat Dec 16 09:41:16 UTC 2023 , Edited by admin on Sat Dec 16 09:41:16 UTC 2023

PRIMARY

CAS

603133-93-3

Created by admin on Sat Dec 16 09:41:16 UTC 2023 , Edited by admin on Sat Dec 16 09:41:16 UTC 2023

PRIMARY

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