3'-METHYLEPICATECHIN-5-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-5-SULFATE

Structure Search

SMILES

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

InChI

InChIKey=ZFUHNDPCTCXKQO-MLGOLLRUSA-N

InChI=1S/C16H16O9S/c1-23-15-4-8(2-3-11(15)18)16-12(19)7-10-13(24-16)5-9(17)6-14(10)25-26(20,21)22/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 22:02:37 GMT 2025` Edited by `admin` on `Mon Mar 31 22:02:37 GMT 2025`
Record UNII	TT47B0549Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3'-METHYLEPICATECHIN-5-SULFATE

Common Name

English

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

Preferred Name

English

3'-O-METHYL-(-)-EPICATECHIN 5-SULFATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID201009417

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

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CAS

1373035-55-2

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

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FDA UNII

TT47B0549Q

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

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PUBCHEM

71579207

Created by admin on Mon Mar 31 22:02:37 GMT 2025 , Edited by admin on Mon Mar 31 22:02:37 GMT 2025

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