Genistein 4'-O-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18O11
Molecular Weight	446.361
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@H]1[C@H](OC2=CC=C(C=C2)C3=COC4=C(C(O)=CC(O)=C4)C3=O)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=NHEBJNCJBWUPCK-ZFORQUDYSA-N

InChI=1S/C21H18O11/c22-9-5-12(23)14-13(6-9)30-7-11(15(14)24)8-1-3-10(4-2-8)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O11
Molecular Weight	446.361
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 08:08:10 GMT 2025` Edited by `admin` on `Wed Apr 02 08:08:10 GMT 2025`
Record UNII	FU3VPX7SLD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5S,6S)-6-(4-(5,7-Bis(oxidanyl)-4-oxidanylidene-chromen-3-yl)phenoxy)-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid

Preferred Name

English

Genistein 4'-O-glucuronide

Common Name

English

4-(5,7-Dihydroxy-4-oxo-4H-1-benzopyran-3-yl)phenyl ?-D-glucopyranosiduronic acid

Systematic Name

English

?-D-Glucopyranosiduronic acid, 4-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-3-yl)phenyl

Systematic Name

English

Code System Code Type Description

PUBCHEM

45782816

Created by admin on Wed Apr 02 08:08:10 GMT 2025 , Edited by admin on Wed Apr 02 08:08:10 GMT 2025

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FDA UNII

FU3VPX7SLD

Created by admin on Wed Apr 02 08:08:10 GMT 2025 , Edited by admin on Wed Apr 02 08:08:10 GMT 2025

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EPA CompTox

DTXSID00671254

Created by admin on Wed Apr 02 08:08:10 GMT 2025 , Edited by admin on Wed Apr 02 08:08:10 GMT 2025

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CAS

245084-07-5

Created by admin on Wed Apr 02 08:08:10 GMT 2025 , Edited by admin on Wed Apr 02 08:08:10 GMT 2025

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