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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20O13
Molecular Weight 492.3873
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISORHAMNETIN-3-GLUCURONIDE

SMILES

COc1cc(ccc1O)-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

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 492.3873
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 01:16:40 UTC 2021
Edited
by admin
on Sat Jun 26 01:16:40 UTC 2021
Record UNII
5MZB5M8D8L
Record Status Validated (UNII)
Record Version
  • Download
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 Sat Jun 26 01:16:40 UTC 2021 , Edited by admin on Sat Jun 26 01:16:40 UTC 2021
PRIMARY
PUBCHEM
5491630
Created by admin on Sat Jun 26 01:16:40 UTC 2021 , Edited by admin on Sat Jun 26 01:16:40 UTC 2021
PRIMARY
FDA UNII
5MZB5M8D8L
Created by admin on Sat Jun 26 01:16:40 UTC 2021 , Edited by admin on Sat Jun 26 01:16:40 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
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
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