Structure Information
Structure

Compound Identification

SMILES

COC(=O)C=CC1=CC2=C(OCO2)C=C1C1=C(OC)C(OC)=C(OC)C=C1C(O)=O

InChIKey

InChIKey=GHBMKATUAQBRTJ-UHFFFAOYSA-N

Formula

C21H20O9

Mass

416.382

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives

Direct Parent

Gallic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Gallic acid or derivatives - Cinnamic acid ester - Coumaric acid or derivatives - Cinnamic acid or derivatives - M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Benzodioxole - Benzoic acid - Methoxybenzene - Phenoxy compound - Styrene - Phenol ether - Anisole - Benzoyl - Alkyl aryl ether - Fatty acid ester - Dicarboxylic acid or derivatives - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Acetal - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as gallic acid and derivatives. These are compounds containing a 3,4,5-trihydroxybenzoic acid moiety.

External Descriptors

Not available

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