ISOLIQUIRITIGENIN GLUCURONIDE

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 ISOLIQUIRITIGENIN GLUCURONIDE

Structure Search

SMILES

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

InChI

InChIKey=RBHAALOTDVZRJY-DQYPHISWSA-N

InChI=1S/C21H20O10/c22-11-4-7-13(15(24)9-11)14(23)8-3-10-1-5-12(6-2-10)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 16:34:08 UTC 2023` Edited by `admin` on `Sat Dec 16 16:34:08 UTC 2023`
Record UNII	X87DCB9GST
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOLIQUIRITIGENIN GLUCURONIDE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

ISOLIQUIRITIGENIN METABOLITE MG3

Common Name

English

Code System Code Type Description

PUBCHEM

156028036

Created by admin on Sat Dec 16 16:34:08 UTC 2023 , Edited by admin on Sat Dec 16 16:34:08 UTC 2023

PRIMARY

FDA UNII

X87DCB9GST

Created by admin on Sat Dec 16 16:34:08 UTC 2023 , Edited by admin on Sat Dec 16 16:34:08 UTC 2023

PRIMARY

CAS

1084629-06-0

Created by admin on Sat Dec 16 16:34:08 UTC 2023 , Edited by admin on Sat Dec 16 16:34:08 UTC 2023

PRIMARY

Related Record Type Details


					B9CTI9GB8F

TRIHYDROXYCHALCONE

PARENT -> METABOLITE

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