BETAGARIN

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H16O6
Molecular Weight	328.316
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BETAGARIN

Structure Search

SMILES

COC1=CC=CC=C1[C@@H]2CC(=O)C3=C(OC)C4=C(OCO4)C=C3O2

InChI

InChIKey=IHPVFYLOGNNZLA-ZDUSSCGKSA-N

InChI=1S/C18H16O6/c1-20-12-6-4-3-5-10(12)13-7-11(19)16-14(24-13)8-15-17(18(16)21-2)23-9-22-15/h3-6,8,13H,7,9H2,1-2H3/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C18H16O6
Molecular Weight	328.316
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:07:26 GMT 2023` Edited by `admin` on `Sat Dec 16 11:07:26 GMT 2023`
Record UNII	3BFX11EU44
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAGARIN

Common Name

English

2',5-DIMETHOXY-6,7-METHYLENEDIOXYFLAVANONE, (S)-

Systematic Name

English

8H-1,3-DIOXOLO(4,5-G)(1)BENZOPYRAN-8-ONE, 6,7-DIHYDRO-9-METHOXY-6-(2-METHOXYPHENYL)-, (6S)-

Systematic Name

English

Code System Code Type Description

FDA UNII

3BFX11EU44

Created by admin on Sat Dec 16 11:07:26 GMT 2023 , Edited by admin on Sat Dec 16 11:07:26 GMT 2023

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CAS

60132-69-6

Created by admin on Sat Dec 16 11:07:26 GMT 2023 , Edited by admin on Sat Dec 16 11:07:26 GMT 2023

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EPA CompTox

DTXSID80331783

Created by admin on Sat Dec 16 11:07:26 GMT 2023 , Edited by admin on Sat Dec 16 11:07:26 GMT 2023

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CHEBI

27679

Created by admin on Sat Dec 16 11:07:26 GMT 2023 , Edited by admin on Sat Dec 16 11:07:26 GMT 2023

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PUBCHEM

442261

Created by admin on Sat Dec 16 11:07:26 GMT 2023 , Edited by admin on Sat Dec 16 11:07:26 GMT 2023

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