3'-METHYLEPICATECHIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H16O6
Molecular Weight	304.2946
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=NJHJXXLBWQXMRO-CZUORRHYSA-N

InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H16O6
Molecular Weight	304.2946
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 22:54:10 GMT 2025` Edited by `admin` on `Mon Mar 31 22:54:10 GMT 2025`
Record UNII	67FI825885
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Preferred Name

English

3'-METHYLEPICATECHIN

Common Name

English

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

Systematic Name

English

(2R,3R)-2-(4-HYDROXY-3-METHOXYPHENYL)-3,4-DIHYDRO-2H-CHROMENE-3,5,7-TRIOL

Systematic Name

English

SYMPLOCOSIDIN

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

67FI825885

Created by admin on Mon Mar 31 22:54:10 GMT 2025 , Edited by admin on Mon Mar 31 22:54:10 GMT 2025

PRIMARY

EPA CompTox

DTXSID501341513

Created by admin on Mon Mar 31 22:54:10 GMT 2025 , Edited by admin on Mon Mar 31 22:54:10 GMT 2025

PRIMARY

CAS

76549-34-3

Created by admin on Mon Mar 31 22:54:10 GMT 2025 , Edited by admin on Mon Mar 31 22:54:10 GMT 2025

PRIMARY

PUBCHEM

11420256

Created by admin on Mon Mar 31 22:54:10 GMT 2025 , Edited by admin on Mon Mar 31 22:54:10 GMT 2025

PRIMARY

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