4'-METHYL-EPIGALLOCATECHIN-7-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H24O13
Molecular Weight	496.4182
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-METHYL-EPIGALLOCATECHIN-7-GLUCURONIDE

Structure Search

SMILES

COC1=C(O)C=C(C=C1O)[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=DIBOSYWBDWWWDM-HAQXZMAGSA-N

InChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H24O13
Molecular Weight	496.4182
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 09:32:35 UTC 2023` Edited by `admin` on `Sat Dec 16 09:32:35 UTC 2023`
Record UNII	P0PUY7ZN10
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-METHYL-EPIGALLOCATECHIN-7-GLUCURONIDE

Common Name

English

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

Common Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

76966715

Created by admin on Sat Dec 16 09:32:35 UTC 2023 , Edited by admin on Sat Dec 16 09:32:35 UTC 2023

PRIMARY

CAS

1038922-74-5

Created by admin on Sat Dec 16 09:32:35 UTC 2023 , Edited by admin on Sat Dec 16 09:32:35 UTC 2023

PRIMARY

FDA UNII

P0PUY7ZN10

Created by admin on Sat Dec 16 09:32:35 UTC 2023 , Edited by admin on Sat Dec 16 09:32:35 UTC 2023

PRIMARY

Related Record Type Details


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GREEN TEA LEAF

PARENT -> METABOLITE

Interaction Type:

IN-VIVO

Qualification:

URINE