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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H14O9S
Molecular Weight 370.3329
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EPICATECHIN-3'-SULFATE

SMILES

c1cc(c(cc1[C@]2([H])[C@@]([H])(Cc3c(cc(cc3O2)O)O)O)OS(=O)(=O)O)O

InChI

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

HIDE SMILES / InChI

Molecular Formula C15H14O9S
Molecular Weight 370.3329
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 01:54:00 UTC 2021
Edited
by admin
on Sat Jun 26 01:54:00 UTC 2021
Record UNII
074D703K9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EPICATECHIN-3'-SULFATE
Common Name English
(2-HYDROXY-5-((2R,3R)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENYL) HYDROGEN SULFATE
Systematic Name English
2-HYDROXY-5-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENYL HYDROGEN SULFATE
Systematic Name English
2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(4-HYDROXY-3-(SULFOOXY)PHENYL)-, (2R,3R)-
Systematic Name English
(-)-EPICATECHIN 3'-SULFATE
Common Name English
Code System Code Type Description
FDA UNII
074D703K9R
Created by admin on Sat Jun 26 01:54:00 UTC 2021 , Edited by admin on Sat Jun 26 01:54:00 UTC 2021
PRIMARY
CAS
1038922-77-8
Created by admin on Sat Jun 26 01:54:00 UTC 2021 , Edited by admin on Sat Jun 26 01:54:00 UTC 2021
PRIMARY
PUBCHEM
71260094
Created by admin on Sat Jun 26 01:54:00 UTC 2021 , Edited by admin on Sat Jun 26 01:54:00 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE LESS ACTIVE
FRAP (ferric reducing ability of plasma) assay; Unit: Trolox equivalent antioxidant capacity (TEAC)- mM-Trolox equivalent/mM; epicatechin was 1.34
IN-VITRO