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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24O13
Molecular Weight 496.419
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4'-METHYL-EPIGALLOCATECHIN-7-GLUCURONIDE

SMILES

COc1c(cc(cc1O)[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O4)O)O)O)O)O)O

InChI

InChIKey=DIBOSYWBDWWWDM-HAQXZMAGSA-N
InChI=1S/C22H24O13/c1-32-19-11(24)2-7(3-12(19)25)18-13(26)6-9-10(23)4-8(5-14(9)34-18)33-22-17(29)15(27)16(28)20(35-22)21(30)31/h2-5,13,15-18,20,22-29H,6H2,1H3,(H,30,31)/t13-,15+,16+,17-,18-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24O13
Molecular Weight 496.419
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 14:17:45 UTC 2021
Edited
by admin
on Sat Jun 26 14:17:45 UTC 2021
Record UNII
P0PUY7ZN10
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4'-METHYL-EPIGALLOCATECHIN-7-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,3R)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)-3,4-DIHYDRO-3,5-DIHYDROXY-2H-1-BENZOPYRAN-7-YL
Common Name English
(2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,5-DIHYDROXY-4-METHOXYPHENYL)-3,5-DIHYDROXYCHROMAN-7-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
Code System Code Type Description
PUBCHEM
76966715
Created by admin on Sat Jun 26 14:17:45 UTC 2021 , Edited by admin on Sat Jun 26 14:17:45 UTC 2021
PRIMARY
CAS
1038922-74-5
Created by admin on Sat Jun 26 14:17:45 UTC 2021 , Edited by admin on Sat Jun 26 14:17:45 UTC 2021
PRIMARY
FDA UNII
P0PUY7ZN10
Created by admin on Sat Jun 26 14:17:45 UTC 2021 , Edited by admin on Sat Jun 26 14:17:45 UTC 2021
PRIMARY
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