3'-METHYLEPICATECHIN-4'-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16O9S
Molecular Weight	384.358
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3'-METHYLEPICATECHIN-4'-SULFATE

Structure Search

SMILES

COC1=C(OS(O)(=O)=O)C=CC(=C1)[C@H]2OC3=CC(O)=CC(O)=C3C[C@H]2O

InChI

InChIKey=QGMVQGQNIUVPMC-MLGOLLRUSA-N

InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-13(15)25-26(20,21)22)16-12(19)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,12,16-19H,7H2,1H3,(H,20,21,22)/t12-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16O9S
Molecular Weight	384.358
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 `Mon Mar 31 22:02:38 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:38 GMT 2025`
Record UNII	A77AGF90HJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3'-METHYLEPICATECHIN-4'-SULFATE

Common Name

English

3'-O-METHYL-(-)-EPICATECHIN 4'-SULFATE

Preferred Name

English

(2-METHOXY-4-((2R,3R)-3,5,7-TRIHYDROXY-3,4-DIHYDRO-2H-CHROMEN-2-YL)PHENYL) HYDROGEN SULFATE

Systematic Name

English

2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(3-METHOXY-4-(SULFOOXY)PHENYL)-, (2R,3R)-

Systematic Name

English

2-METHOXY-4-((2R,3R)-3,5,7-TRIHYDROXYCHROMAN-2-YL)PHENYL HYDROGEN SULFATE

Systematic Name

English

Code System Code Type Description

FDA UNII

A77AGF90HJ

Created by admin on Mon Mar 31 22:02:38 GMT 2025 , Edited by admin on Mon Mar 31 22:02:38 GMT 2025

PRIMARY

CAS

1390702-41-6

Created by admin on Mon Mar 31 22:02:38 GMT 2025 , Edited by admin on Mon Mar 31 22:02:38 GMT 2025

PRIMARY

EPA CompTox

DTXSID501009416

Created by admin on Mon Mar 31 22:02:38 GMT 2025 , Edited by admin on Mon Mar 31 22:02:38 GMT 2025

PRIMARY

PUBCHEM

71260093

Created by admin on Mon Mar 31 22:02:38 GMT 2025 , Edited by admin on Mon Mar 31 22:02:38 GMT 2025

PRIMARY

Related Record Type Details


					W2ZU1RY8B0

GREEN TEA LEAF

PARENT -> METABOLITE