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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O12
Molecular Weight 466.393
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICATECHIN-7-GLUCURONIDE

SMILES

c1cc(c(cc1[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)O

InChI

InChIKey=FDWDKTKDGDLDTP-BBGDWMAASA-N
InChI=1S/C21H22O12/c22-10-2-1-7(3-12(10)24)18-13(25)6-9-11(23)4-8(5-14(9)32-18)31-21-17(28)15(26)16(27)19(33-21)20(29)30/h1-5,13,15-19,21-28H,6H2,(H,29,30)/t13-,15+,16+,17-,18-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22O12
Molecular Weight 466.393
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 13:41:12 UTC 2021
Edited
by admin
on Sat Jun 26 13:41:12 UTC 2021
Record UNII
2HIH3MX5PY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPICATECHIN-7-GLUCURONIDE
Common Name English
(-)-EPICATECHIN 7-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-3,5-DIHYDROXY-2H-1-BENZOPYRAN-7-YL
Common Name English
EPICATECHIN 7-O-.BETA.-D-GLUCURONIDE
Common Name English
(-)-EPICATECHIN-7-.BETA.-D-GLUCURONIDE
Common Name English
(2S,3S,4S,5R,6S)-6-(((2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,5-DIHYDROXYCHROMAN-7-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Systematic Name English
(-)-EPICATECHIN-7-O-GLUCURONIDE
Common Name English
Code System Code Type Description
CAS
389136-63-4
Created by admin on Sat Jun 26 13:41:12 UTC 2021 , Edited by admin on Sat Jun 26 13:41:12 UTC 2021
PRIMARY
PUBCHEM
76961592
Created by admin on Sat Jun 26 13:41:12 UTC 2021 , Edited by admin on Sat Jun 26 13:41:12 UTC 2021
PRIMARY
FDA UNII
2HIH3MX5PY
Created by admin on Sat Jun 26 13:41:12 UTC 2021 , Edited by admin on Sat Jun 26 13:41:12 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE ACTIVE
Superoxide Dismutase Assay (SOD kit-WST); IC50 was lower than that of epicatechin.
IN-VITRO
IC50