Kaempferol 3-glucuronide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H18O12
Molecular Weight	462.3604
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=C(OC3=CC(O)=CC(O)=C3C2=O)C4=CC=C(O)C=C4)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O

InChI

InChIKey=FNTJVYCFNVUBOL-ZUGPOPFOSA-N

InChI=1S/C21H18O12/c22-8-3-1-7(2-4-8)17-18(13(25)12-10(24)5-9(23)6-11(12)31-17)32-21-16(28)14(26)15(27)19(33-21)20(29)30/h1-6,14-16,19,21-24,26-28H,(H,29,30)/t14-,15-,16+,19-,21+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H18O12
Molecular Weight	462.3604
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 `Sat Dec 16 15:20:35 GMT 2023` Edited by `admin` on `Sat Dec 16 15:20:35 GMT 2023`
Record UNII	EGG5MC7LNS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Kaempferol 3-glucuronide

Common Name

English

β-D-Glucopyranosiduronic acid, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl

Systematic Name

English

5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl β-D-glucopyranosiduronic acid

Systematic Name

English

Kaempferol 3-O-β-D-glucuronopyranoside

Common Name

English

Kaempferol 3-O-β-D-glucuronide

Common Name

English

(2S,3S,4S,5R,6S)-6-((5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Systematic Name

English

Kaempferol 3-β-glucuronide

Common Name

English

Glucuronyl-3-kaempferol

Common Name

English

Kaempferol 3-O-glucuronide

Common Name

English

Kaempherol 3-O-β-glucuronide

Common Name

English

Glucopyranosiduronic acid, 5,7-dihydroxy-2-(p-hydroxyphenyl)-4-oxo-4H-1-benzopyran-3-yl, β-D-

Systematic Name

English

Code System Code Type Description

PUBCHEM

10226594

Created by admin on Sat Dec 16 15:20:35 GMT 2023 , Edited by admin on Sat Dec 16 15:20:35 GMT 2023

PRIMARY

CAS

22688-78-4

Created by admin on Sat Dec 16 15:20:35 GMT 2023 , Edited by admin on Sat Dec 16 15:20:35 GMT 2023

PRIMARY

FDA UNII

EGG5MC7LNS

Created by admin on Sat Dec 16 15:20:35 GMT 2023 , Edited by admin on Sat Dec 16 15:20:35 GMT 2023

PRIMARY

EPA CompTox

DTXSID90415745

Created by admin on Sat Dec 16 15:20:35 GMT 2023 , Edited by admin on Sat Dec 16 15:20:35 GMT 2023

PRIMARY