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Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)[C@H]1OC2=C(O[C@@H]1CO)C1=C(C=CC(=O)O1)C(Cl)=C2OC

InChIKey

InChIKey=LLYVZFICRTUAKA-RHSMWYFYSA-N

Formula

C21H19ClO8

Mass

434.83

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Coumarinolignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarinolignans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Angular-fused coumarolignan skeleton - 2-phenylbenzo-1,4-dioxane - Phenylbenzodioxane - P-dioxolo[2,3-h]coumarin - Coumarin - Benzo-1,4-dioxane - Benzodioxane - Benzopyran - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Aryl chloride - Para-dioxin - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ether - Oxacycle - Organoheterocyclic compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarinolignans. These are lignans with a structure characterized by the presence of a 1,4-dioxane bridge substituted by a phenyl group, and fused to a coumarin.

External Descriptors

Not available

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