4'-METHYL-EPIGALLOCATECHIN-3'-SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16O10S
Molecular Weight	400.357
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-METHYL-EPIGALLOCATECHIN-3'-SULFATE

Structure Search

SMILES

COC1=C(OS(O)(=O)=O)C=C(C=C1O)[C@H]2OC3=C(C[C@H]2O)C(O)=CC(O)=C3

InChI

InChIKey=MXQPVXBIHUDTSP-IUODEOHRSA-N

InChI=1S/C16H16O10S/c1-24-16-11(19)2-7(3-14(16)26-27(21,22)23)15-12(20)6-9-10(18)4-8(17)5-13(9)25-15/h2-5,12,15,17-20H,6H2,1H3,(H,21,22,23)/t12-,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16O10S
Molecular Weight	400.357
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 09:27:17 GMT 2023` Edited by `admin` on `Sat Dec 16 09:27:17 GMT 2023`
Record UNII	YS81ADX3F1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4'-METHYL-EPIGALLOCATECHIN-3'-SULFATE

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

1038922-76-7

Created by admin on Sat Dec 16 09:27:17 GMT 2023 , Edited by admin on Sat Dec 16 09:27:17 GMT 2023

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FDA UNII

YS81ADX3F1

Created by admin on Sat Dec 16 09:27:17 GMT 2023 , Edited by admin on Sat Dec 16 09:27:17 GMT 2023

PRIMARY

PUBCHEM

76956539

Created by admin on Sat Dec 16 09:27:17 GMT 2023 , Edited by admin on Sat Dec 16 09:27:17 GMT 2023

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