Structure Information
Structure

Compound Identification

SMILES

C=CC(=O)OCCCCOC1=CC=C(C=C1)C(=O)OC1=CC2=C(C=CC(=O)O2)C=C1

InChIKey

InChIKey=CESQWBQVVQLMDY-UHFFFAOYSA-N

Formula

C23H20O7

Mass

408.406

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Phenol ester - 1-benzopyran - Benzopyran - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Pyranone - Alkyl aryl ether - Benzenoid - Acrylic acid ester - Pyran - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Acrylic acid or derivatives - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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