4-O-GLUCURONYLISOLIQUIRITIGENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20O10
Molecular Weight	432.3775
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-O-GLUCURONYLISOLIQUIRITIGENIN

Structure Search

SMILES

O[C@H]1[C@H](OC2=CC(O)=C(C=C2)C(=O)\C=C\C3=CC=C(O)C=C3)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=GBJWMMODLCLGHS-DQYPHISWSA-N

InChI=1S/C21H20O10/c22-11-4-1-10(2-5-11)3-8-14(23)13-7-6-12(9-15(13)24)30-21-18(27)16(25)17(26)19(31-21)20(28)29/h1-9,16-19,21-22,24-27H,(H,28,29)/b8-3+/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O10
Molecular Weight	432.3775
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:12:26 GMT 2023` Edited by `admin` on `Sat Dec 16 16:12:26 GMT 2023`
Record UNII	VUF4G2P7L7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-O-GLUCURONYLISOLIQUIRITIGENIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 3-HYDROXY-4-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)PHENYL

Systematic Name

English

ISOLIQU IRITIGENIN METABOLITE MG5

Common Name

English

3-HYDROXY-4-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

VUF4G2P7L7

Created by admin on Sat Dec 16 16:12:26 GMT 2023 , Edited by admin on Sat Dec 16 16:12:26 GMT 2023

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CAS

1084629-10-6

Created by admin on Sat Dec 16 16:12:26 GMT 2023 , Edited by admin on Sat Dec 16 16:12:26 GMT 2023

PRIMARY

PUBCHEM

156596424

Created by admin on Sat Dec 16 16:12:26 GMT 2023 , Edited by admin on Sat Dec 16 16:12:26 GMT 2023

PRIMARY

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