4'-METHYLEPICATECHIN-7-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 4'-METHYLEPICATECHIN-7-SULFATE

Structure Search

SMILES

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

InChI

InChIKey=NCEYJABYRYYGNC-CZUORRHYSA-N

InChI=1S/C16H16O9S/c1-23-14-3-2-8(4-12(14)18)16-13(19)7-10-11(17)5-9(6-15(10)24-16)25-26(20,21)22/h2-6,13,16-19H,7H2,1H3,(H,20,21,22)/t13-,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 21:51:31 GMT 2025` Edited by `admin` on `Mon Mar 31 21:51:31 GMT 2025`
Record UNII	K37MX49C8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-METHYLEPICATECHIN-7-SULFATE

Common Name

English

2H-1-BENZOPYRAN-3,5,7-TRIOL, 3,4-DIHYDRO-2-(3-HYDROXY-4-METHOXYPHENYL)-, 7-(HYDROGEN SULFATE), (2R,3R)-

Preferred Name

English

(2R,3R)-3,5-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)CHROMAN-7-YL HYDROGEN SULFATE

Systematic Name

English

((2R,3R)-3,5-DIHYDROXY-2-(3-HYDROXY-4-METHOXYPHENYL)-3,4-DIHYDRO-2H-CHROMEN-7-YL) HYDROGEN SULFATE

Systematic Name

English

4'-O-METHYL-(-)-EPICATECHIN 7-SULFATE

Common Name

English

Code System Code Type Description

PUBCHEM

71579292

Created by admin on Mon Mar 31 21:51:31 GMT 2025 , Edited by admin on Mon Mar 31 21:51:31 GMT 2025

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EPA CompTox

DTXSID901009420

Created by admin on Mon Mar 31 21:51:31 GMT 2025 , Edited by admin on Mon Mar 31 21:51:31 GMT 2025

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FDA UNII

K37MX49C8A

Created by admin on Mon Mar 31 21:51:31 GMT 2025 , Edited by admin on Mon Mar 31 21:51:31 GMT 2025

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CAS

1383625-98-6

Created by admin on Mon Mar 31 21:51:31 GMT 2025 , Edited by admin on Mon Mar 31 21:51:31 GMT 2025

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