Structure Information
Structure

Compound Identification

SMILES

COCCOC1=C(Cl)C2=C(C=C(NC(=O)CCCC(=O)OC)C=C2)C(=O)O1

InChIKey

InChIKey=BSIWYMZPDXIDEA-UHFFFAOYSA-N

Formula

C18H20ClNO7

Mass

397.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isocoumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isocoumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isocoumarin - Benzopyran - 2-benzopyran - N-arylamide - Alkyl aryl ether - Fatty acid ester - Pyranone - Fatty acid methyl ester - Aryl chloride - Fatty amide - Aryl halide - Pyran - Fatty acyl - Benzenoid - Heteroaromatic compound - Methyl ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isocoumarins and derivatives. These are polycyclic compounds containing an isochromane which bears a ketone at the carbon C1.

External Descriptors

Not available

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