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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22O13
Molecular Weight 482.3924
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPIGALLOCATECHIN-7-GLUCURONIDE

SMILES

c1c(cc(c(c1O)O)O)[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

InChI

InChIKey=DMDNCGKEYCRXOR-CVPXIJHMSA-N
InChI=1S/C21H22O13/c22-9-3-7(32-21-17(29)15(27)16(28)19(34-21)20(30)31)4-13-8(9)5-12(25)18(33-13)6-1-10(23)14(26)11(24)2-6/h1-4,12,15-19,21-29H,5H2,(H,30,31)/t12-,15+,16+,17-,18-,19+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H22O13
Molecular Weight 482.3924
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 14:10:35 UTC 2021
Edited
by admin
on Sat Jun 26 14:10:35 UTC 2021
Record UNII
629O3H07D9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPIGALLOCATECHIN-7-GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (2R,3R)-3,4-DIHYDRO-3,5-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-2H-1-BENZOPYRAN-7-YL
Common Name English
(2S,3S,4S,5R,6S)-6-(((2R,3R)-3,5-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)CHROMAN-7-YL)OXY)-3,4,5-TRIHYDROXYTETRAHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
FDA UNII
629O3H07D9
Created by admin on Sat Jun 26 14:10:35 UTC 2021 , Edited by admin on Sat Jun 26 14:10:35 UTC 2021
PRIMARY
PUBCHEM
76959109
Created by admin on Sat Jun 26 14:10:35 UTC 2021 , Edited by admin on Sat Jun 26 14:10:35 UTC 2021
PRIMARY
CAS
569670-42-4
Created by admin on Sat Jun 26 14:10:35 UTC 2021 , Edited by admin on Sat Jun 26 14:10:35 UTC 2021
PRIMARY
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