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Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C)C(NC(=O)COC(=O)C2=CC(O)=C(O)C(O)=C2)=C1)[N+]([O-])=O

InChIKey

InChIKey=KMXMWIIKHABLOT-UHFFFAOYSA-N

Formula

C17H16N2O9

Mass

392.32

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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 - Gallic acid and derivatives

Direct Parent

Galloyl esters

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Galloyl ester - Nitrophenyl ether - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pyrogallol derivative - Nitrobenzene - Anilide - Methoxyaniline - Nitrotoluene - Benzenetriol - Benzoyl - Methoxybenzene - Phenoxy compound - N-arylamide - Phenol ether - Anisole - Nitroaromatic compound - Phenol - Toluene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Organic nitro compound - Carboxamide group - Carboxylic acid ester - C-nitro compound - Secondary carboxylic acid amide - Allyl-type 1,3-dipolar organic compound - Polyol - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic oxide - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as galloyl esters. These are organic compounds that contain an ester derivative of 3,4,5-trihydroxybenzoic acid.

External Descriptors

Not available

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