Structure Information
Structure

Compound Identification

SMILES

OC1=C(C(=O)C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)C(=O)Oc2ccccc12

InChIKey

InChIKey=DIVJMFVRDQHKSS-UHFFFAOYSA-N

Formula

C21H10ClNO7

Mass

423.76

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

4-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Naphthoquinone - 4-hydroxycoumarin - 1-benzopyran - Benzopyran - Naphthalene - Quinone - Aryl ketone - Pyranone - Benzenoid - Pyran - Alpha-chloroketone - Vinylogous amide - Vinylogous acid - Vinylogous halide - Alpha-haloketone - Heteroaromatic compound - Lactone - Carboxamide group - Secondary carboxylic acid amide - Ketone - Carboxylic acid derivative - Oxacycle - Chloroalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl chloride - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to C4-position the coumarin skeleton.

External Descriptors

Not available

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