Structure Information
Structure

Compound Identification

SMILES

COC1=CC(CC(C(CO)C(=O)C2=CC3=C(OCO3)C=C2)C(O)=O)=CC(OC)=C1OC

InChIKey

InChIKey=VHQKQGDYAJMVTH-UHFFFAOYSA-N

Formula

C22H24O9

Mass

432.425

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Lignans, neolignans and related compounds

Class

Dibenzylbutane lignans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzylbutane lignans

Alternative Parents

Phenylpropanoic acids Butyrophenones Benzodioxoles Anisoles Aryl alkyl ketones Phenoxy compounds Gamma-keto acids and derivatives Methoxybenzenes Alkyl aryl ethers Beta-hydroxy ketones Acetals Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Aldehydes Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzylbutane lignan skeleton - Butyrophenone - 3-phenylpropanoic-acid - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Gamma-keto acid - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Keto acid - Ketone - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Carboxylic acid - Carboxylic acid derivative - Acetal - Oxacycle - Primary alcohol - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aldehyde - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzylbutane lignans. These are lignan compounds containing a 2,3-dibenzylbutane moiety.

External Descriptors

Not available

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