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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 QUERCETIN-3'-GLUCURONIDE

SMILES

c1cc(c(cc1-c2c(c(=O)c3c(cc(cc3o2)O)O)O)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)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 478.3607
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 Jun 26 09:09:11 UTC 2021
Edited
by admin
on Sat Jun 26 09:09:11 UTC 2021
Record UNII
RW0082ZDT2
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Jun 26 09:09:11 UTC 2021 , Edited by admin on Sat Jun 26 09:09:11 UTC 2021
PRIMARY
CAS
328006-77-5
Created by admin on Sat Jun 26 09:09:11 UTC 2021 , Edited by admin on Sat Jun 26 09:09:11 UTC 2021
PRIMARY
FDA UNII
RW0082ZDT2
Created by admin on Sat Jun 26 09:09:11 UTC 2021 , Edited by admin on Sat Jun 26 09:09:11 UTC 2021
PRIMARY
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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
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