Ferulic acid-4?-O-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O10
Molecular Weight	370.3081
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of Ferulic acid-4?-O-glucuronide

Structure Search

SMILES

COC1=CC(C=CC(O)=O)=CC=C1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O

InChI

InChIKey=TWSIWBHKRJLZCF-MBAOVNHDSA-N

InChI=1S/C16H18O10/c1-24-9-6-7(3-5-10(17)18)2-4-8(9)25-16-13(21)11(19)12(20)14(26-16)15(22)23/h2-6,11-14,16,19-21H,1H3,(H,17,18)(H,22,23)/b5-3+/t11-,12-,13+,14-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C16H18O10
Molecular Weight	370.3081
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 `Wed Apr 02 06:48:31 GMT 2025` Edited by `admin` on `Wed Apr 02 06:48:31 GMT 2025`
Record UNII	875NTZ84Y9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(2S,3S,4S,5R,6S)-6-[4-[(E)-2-Carboxyethenyl]-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Preferred Name

English

Ferulic acid-4?-O-glucuronide

Common Name

English

?-D-Glucopyranosiduronic acid, 4-(2-carboxyethenyl)-2-methoxyphenyl

Systematic Name

English

4-(2-Carboxyethenyl)-2-methoxyphenyl ?-D-glucopyranosiduronic acid

Systematic Name

English

Code System Code Type Description

CAS

86321-24-6

Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025

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FDA UNII

875NTZ84Y9

Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025

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PUBCHEM

6443140

Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025

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EPA CompTox

DTXSID401341677

Created by admin on Wed Apr 02 06:48:31 GMT 2025 , Edited by admin on Wed Apr 02 06:48:31 GMT 2025

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