BRICKELLIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20O9
Molecular Weight	404.3674
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BRICKELLIN

Structure Search

SMILES

COC1=C(OC)C=C(C(O)=C1)C2=C(OC)C(=O)C3=C(O)C(OC)=C(OC)C=C3O2

InChI

InChIKey=USWPTYUGAMOLAB-UHFFFAOYSA-N

InChI=1S/C20H20O9/c1-24-11-6-9(10(21)7-12(11)25-2)18-20(28-5)17(23)15-13(29-18)8-14(26-3)19(27-4)16(15)22/h6-8,21-22H,1-5H3

HIDE SMILES / InChI

Molecular Formula	C20H20O9
Molecular Weight	404.3674
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:19:14 UTC 2023` Edited by `admin` on `Sat Dec 16 17:19:14 UTC 2023`
Record UNII	MQ8CVA2BQ4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BRICKELLIN

Common Name

English

4H-1-Benzopyran-4-one, 5-hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7-trimethoxy-

Systematic Name

English

5-HYDROXY-2-(2-HYDROXY-4,5-DIMETHOXYPHENYL)-3,6,7-TRIMETHOXY-4H-1-BENZOPYRAN-4-ONE

Systematic Name

English

Code System Code Type Description

CAS

90357-63-4

Created by admin on Sat Dec 16 17:19:14 UTC 2023 , Edited by admin on Sat Dec 16 17:19:14 UTC 2023

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WIKIPEDIA

Brickellin

Created by admin on Sat Dec 16 17:19:14 UTC 2023 , Edited by admin on Sat Dec 16 17:19:14 UTC 2023

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PUBCHEM

13871363

Created by admin on Sat Dec 16 17:19:14 UTC 2023 , Edited by admin on Sat Dec 16 17:19:14 UTC 2023

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EPA CompTox

DTXSID50551638

Created by admin on Sat Dec 16 17:19:14 UTC 2023 , Edited by admin on Sat Dec 16 17:19:14 UTC 2023

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FDA UNII

MQ8CVA2BQ4

Created by admin on Sat Dec 16 17:19:14 UTC 2023 , Edited by admin on Sat Dec 16 17:19:14 UTC 2023

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