Diosmetin-3-O-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20O12
Molecular Weight	476.387
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC=C(C=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C3=CC(=O)C4=C(O3)C=C(O)C=C4O

InChI

InChIKey=VATVKLJSQQBZTF-SXFAUFNYSA-N

InChI=1S/C22H20O12/c1-31-12-3-2-8(13-7-11(25)16-10(24)5-9(23)6-15(16)32-13)4-14(12)33-22-19(28)17(26)18(27)20(34-22)21(29)30/h2-7,17-20,22-24,26-28H,1H3,(H,29,30)/t17-,18-,19+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H20O12
Molecular Weight	476.387
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 17:20:55 GMT 2025` Edited by `admin` on `Wed Apr 02 17:20:55 GMT 2025`
Record UNII	3UB2S2P9UW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Diosmetin-3-O-glucuronide

Systematic Name

English

Diosmetin 3'-O-beta-D-glucuronide

Preferred Name

English

(2S,3S,4S,5R,6S)-6-(5-(5,7-Dihydroxy-4-oxo-4h-chromen-2-yl)-2-methoxyphenoxy)-3,4,5-trihydroxytetrahydro-2h-pyran-2-carboxylic acid

Systematic Name

English

Diosmetin 3-O-b-D-Glucuronide

Common Name

English

5-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl ?-D-glucopyranosiduronic acid

Systematic Name

English

?-D-Glucopyranosiduronic acid, 5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-methoxyphenyl

Systematic Name

English

Code System Code Type Description

CAS

152503-50-9

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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PUBCHEM

102109980

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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FDA UNII

3UB2S2P9UW

Created by admin on Wed Apr 02 17:20:55 GMT 2025 , Edited by admin on Wed Apr 02 17:20:55 GMT 2025

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