QUERCETIN-3'-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18O13
Molecular Weight	478.3598
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](O)[C@H](O)[C@H](O[C@H]1OC2=CC(=CC=C2O)C3=C(O)C(=O)C4=C(O)C=C(O)C=C4O3)C(O)=O

InChI

InChIKey=LBJLXDMWOKJIPQ-JENRNSKYSA-N

InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-8(23)10(3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O13
Molecular Weight	478.3598
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 `Thu Jul 06 16:59:41 UTC 2023` Edited by `admin` on `Thu Jul 06 16:59:41 UTC 2023`
Record UNII	RW0082ZDT2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUERCETIN-3'-GLUCURONIDE

Common Name

English

QUERCETIN 3'-O-GLUCURONIDE

Common Name

English

QUERCETIN 3'-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-1-BENZOPYRAN-2-YL)PHENYL

Systematic Name

English

QUERCETIN 3'-O-.BETA.-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXOCHROMEN-2-YL)PHENOXY)OXANE-2-CARBOXYLIC ACID

Systematic Name

English

2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-CHROMEN-2-YL)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Common Name

English

HMDB41769

Code

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-(2-HYDROXY-5-(3,5,7-TRIHYDROXY-4-OXO-4H-CHROMEN-2-YL)PHENOXY)OXANE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

PUBCHEM

11655911

Created by admin on Thu Jul 06 16:59:41 UTC 2023 , Edited by admin on Thu Jul 06 16:59:41 UTC 2023

PRIMARY

CAS

328006-77-5

Created by admin on Thu Jul 06 16:59:41 UTC 2023 , Edited by admin on Thu Jul 06 16:59:41 UTC 2023

PRIMARY

FDA UNII

RW0082ZDT2

Created by admin on Thu Jul 06 16:59:41 UTC 2023 , Edited by admin on Thu Jul 06 16:59:41 UTC 2023

PRIMARY

Related Record Type Details


					5G06TVY3R7

RUTIN

PARENT -> METABOLITE

Comments:

Quantity of Quercetin-3'-glucuronide in urine of six healthy human subjects 0-24hr (total) after consumption of tomato juice containing 176 micromoles of rutin; Unit: nmoles

Interaction Type:

IN-VIVO

Qualification:

URINE

Amount: