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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O9S
Molecular Weight 370.331
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICATECHIN-5-SULFATE

SMILES

O[C@@H]1CC2=C(O[C@@H]1C3=CC(O)=C(O)C=C3)C=C(O)C=C2OS(O)(=O)=O

InChI

InChIKey=MWSSRHFQMROXGK-IUODEOHRSA-N
InChI=1S/C15H14O9S/c16-8-4-13-9(14(5-8)24-25(20,21)22)6-12(19)15(23-13)7-1-2-10(17)11(18)3-7/h1-5,12,15-19H,6H2,(H,20,21,22)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H14O9S
Molecular Weight 370.331
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 Dec 16 08:23:47 UTC 2023
Edited
by admin
on Sat Dec 16 08:23:47 UTC 2023
Record UNII
8T66C0D002
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPICATECHIN-5-SULFATE
Common Name English
(-)-EPICATECHIN 5-SULFATE
Common Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 2-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-, 5-(HYDROGEN SULFATE), (2R,3R)-
Common Name English
(2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXYCHROMAN-5-YL HYDROGEN SULFATE
Systematic Name English
((2R,3R)-2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-5-YL) HYDROGEN SULFATE
Systematic Name English
EPICATECHIN 5-O-SULPHATE
Common Name English
Code System Code Type Description
SMS_ID
300000013085
Created by admin on Sat Dec 16 08:23:47 UTC 2023 , Edited by admin on Sat Dec 16 08:23:47 UTC 2023
PRIMARY
FDA UNII
8T66C0D002
Created by admin on Sat Dec 16 08:23:47 UTC 2023 , Edited by admin on Sat Dec 16 08:23:47 UTC 2023
PRIMARY
PUBCHEM
71579119
Created by admin on Sat Dec 16 08:23:47 UTC 2023 , Edited by admin on Sat Dec 16 08:23:47 UTC 2023
PRIMARY
CAS
1194377-44-0
Created by admin on Sat Dec 16 08:23:47 UTC 2023 , Edited by admin on Sat Dec 16 08:23:47 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
FRAP (ferric reducing ability of plasma) assay; Unit: TEAC (Trolox equivalent antioxidant capacity)- mM-Trolox equivalent/mM; epicatechin was 1.34
IN-VITRO