ISORHAMNETIN-3-GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H20O13
Molecular Weight	492.3864
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=CC=C1O)C2=C(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(=O)C4=C(O)C=C(O)C=C4O2

InChI

InChIKey=VVZWHOMBDMMRSC-NTKSAMNMSA-N

InChI=1S/C22H20O13/c1-32-11-4-7(2-3-9(11)24)18-19(14(26)13-10(25)5-8(23)6-12(13)33-18)34-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-6,15-17,20,22-25,27-29H,1H3,(H,30,31)/t15-,16-,17+,20-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H20O13
Molecular Weight	492.3864
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 13:47:07 UTC 2023` Edited by `admin` on `Thu Jul 06 13:47:07 UTC 2023`
Record UNII	5MZB5M8D8L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISORHAMNETIN-3-GLUCURONIDE

Common Name

English

ISORHAMNETIN 3-O-GLUCURONIDE

Common Name

English

ISORHAMNETIN 3-GLUCURONIDE

Common Name

English

ISORHAMNETIN 3-GLUCURONOSIDE

Common Name

English

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

Common Name

English

AC1NUSFC

Code

English

ISORHAMNETIN 3-O-.BETA.-D-GLUCURONIDE

Common Name

English

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

Common Name

English

ISORHAMNETIN 3-O-.BETA.-D-GLUCCURONOPYRANOSIDE

Common Name

English

ISORHAMNETIN 3-O-.BETA.-GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-6-(5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-4-OXOCHROMEN-3-YL)OXY-3,4,5-TRIHYDROXYOXANE-2-CARBOXYLIC ACID

Systematic Name

English

Code System Code Type Description

CAS

36687-76-0

Created by admin on Thu Jul 06 13:47:07 UTC 2023 , Edited by admin on Thu Jul 06 13:47:07 UTC 2023

PRIMARY

EPA CompTox

DTXSID70957931

Created by admin on Thu Jul 06 13:47:07 UTC 2023 , Edited by admin on Thu Jul 06 13:47:07 UTC 2023

PRIMARY

PUBCHEM

5491630

Created by admin on Thu Jul 06 13:47:07 UTC 2023 , Edited by admin on Thu Jul 06 13:47:07 UTC 2023

PRIMARY

FDA UNII

5MZB5M8D8L

Created by admin on Thu Jul 06 13:47:07 UTC 2023 , Edited by admin on Thu Jul 06 13:47:07 UTC 2023

PRIMARY

Related Record Type Details


					5G06TVY3R7

RUTIN

PARENT -> METABOLITE

Comments:

Quantity of Isorhamnetin-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: