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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O6
Molecular Weight 304.2953
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-METHYLEPICATECHIN

SMILES

COc1cc(ccc1O)[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)O

InChI

InChIKey=NJHJXXLBWQXMRO-CZUORRHYSA-N
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C16H16O6
Molecular Weight 304.2953
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:22:41 UTC 2021
Edited
by admin
on Sat Jun 26 07:22:41 UTC 2021
Record UNII
67FI825885
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-METHYLEPICATECHIN
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-, (2R,3R)-
Systematic Name English
(2R,3R)-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DIHYDRO-2H-CHROMENE-3,5,7-TRIOL
Systematic Name English
SYMPLOCOSIDIN
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-HYDROXY-3-METHOXYPHENYL)-, (2R-CIS)-
Systematic Name English
3'-O-METHYL-(-)-EPICATECHIN
Common Name English
Code System Code Type Description
FDA UNII
67FI825885
Created by admin on Sat Jun 26 07:22:41 UTC 2021 , Edited by admin on Sat Jun 26 07:22:41 UTC 2021
PRIMARY
CAS
76549-34-3
Created by admin on Sat Jun 26 07:22:41 UTC 2021 , Edited by admin on Sat Jun 26 07:22:41 UTC 2021
PRIMARY
PUBCHEM
11420256
Created by admin on Sat Jun 26 07:22:41 UTC 2021 , Edited by admin on Sat Jun 26 07:22:41 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
ORAC (oxygen radical absorbance capacity) assay; Unit: mol-Trolox equivalent (TE)/mol
IN-VITRO