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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H18O13
Molecular Weight 478.3607
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUERCITURONE

SMILES

c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O)O

InChI

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

HIDE SMILES / InChI

Molecular Formula C21H18O13
Molecular Weight 478.3607
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Bioguided isolation and identification of the nonvolatile antioxidant compounds from fennel (Foeniculum vulgare Mill.) waste.
2004 Apr 7
Red wine alcohol promotes quercetin absorption and directs its metabolism towards isorhamnetin and tamarixetin in rat intestine in vitro.
2006 Apr
Absorption, excretion and metabolite profiling of methyl-, glucuronyl-, glucosyl- and sulpho-conjugates of quercetin in human plasma and urine after ingestion of onions.
2006 Jul
Divergent effects of quercetin conjugates on angiogenesis.
2006 May
The relative contribution of the small and large intestine to the absorption and metabolism of rutin in man.
2006 Oct
Biosafety, antioxidant status, and metabolites in urine after consumption of dried cranberry juice in healthy women: a pilot double-blind placebo-controlled trial.
2007 Apr 18
Radical scavenging activity and composition of raspberry (Rubus idaeus) leaves from different locations in Lithuania.
2007 Feb
High-performance thin-layer chromatography method for quantitative determination of oenothein B and quercetin glucuronide in aqueous extract of Epilobii angustifolii herba.
2007 Nov 30
Spermidine and flavonoid conjugates from peanut (Arachis hypogaea) flowers.
2008 May 14
[HPLC-MS analysis of quercetin and its metabolites in portal vein after intragastrical administration of quercetin in rats].
2009 Jul
Effect of quercetin on paraoxonase 2 levels in RAW264.7 macrophages and in human monocytes--role of quercetin metabolism.
2009 Sep 23
Deconjugation kinetics of glucuronidated phase II flavonoid metabolites by beta-glucuronidase from neutrophils.
2010
Modulation of flavonoid biosynthetic pathway genes and anthocyanins due to virus infection in grapevine (Vitis vinifera L.) leaves.
2010 Aug 23
Ultra-performance liquid chromatography-tandem mass spectrometry analysis of the bioactive components and their metabolites of Shaofu Zhuyu decoction active extract in rat plasma.
2010 Feb 1
Chemical constituents of Asparagus.
2010 Jul
Changes of metabolic profiles in urine after oral administration of quercetin in rats.
2010 Jun
A structural basis for the inhibition of collagen-stimulated platelet function by quercetin and structurally related flavonoids.
2010 Mar
Platelet-mediated metabolism of the common dietary flavonoid, quercetin.
2010 Mar 12
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Jun 26 13:56:47 UTC 2021
Edited
by admin
on Sat Jun 26 13:56:47 UTC 2021
Record UNII
RY36PD0CQ2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCITURONE
Common Name English
QUERCETIN 3-O-.BETA.-D-GLUCURONOPYRANOSIDE
Common Name English
QUERCETIN .BETA.-GLUCURONIDE
Common Name English
GLUCOPYRANOSIDURONIC ACID, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-3-YL, .BETA.-D-
Common Name English
QUERCETIN GLUCURONIDE
Common Name English
QUERCETIN 3-.BETA.-GLUCURONIDE
Common Name English
QUERCETIN-3-GLUCOSIDURONIC ACID
Common Name English
QUERCETIN-3-.BETA.-D-GLUCURONIDE
Common Name English
QUERCITURON
Common Name English
HMDB29212
Code English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-3-YL
Common Name English
QUERCETIN 3-O-GLUCURONIDE
Common Name English
MIKWELIANIN
Common Name English
MIQUELIANIN
Common Name English
QUERCETIN-3-O-.BETA.-D-GLUCURONIDE
Common Name English
QUERCETIN 3-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
22688-79-5
Created by admin on Sat Jun 26 13:56:48 UTC 2021 , Edited by admin on Sat Jun 26 13:56:48 UTC 2021
PRIMARY
FDA UNII
RY36PD0CQ2
Created by admin on Sat Jun 26 13:56:48 UTC 2021 , Edited by admin on Sat Jun 26 13:56:48 UTC 2021
PRIMARY
WIKIPEDIA
Miquelianin
Created by admin on Sat Jun 26 13:56:48 UTC 2021 , Edited by admin on Sat Jun 26 13:56:48 UTC 2021
PRIMARY
PUBCHEM
5274585
Created by admin on Sat Jun 26 13:56:48 UTC 2021 , Edited by admin on Sat Jun 26 13:56:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT
The compound was screened for it's antioxidant capacity in the DPPH assay, and displayed a high antioxidant activity, with an IC50 value of 44.4 uM.
PARENT -> CONSTITUENT ALWAYS PRESENT
Related Record Type Details
PARENT -> METABOLITE
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
IN-VIVO
URINE