Structure Information
Structure

Compound Identification

SMILES

CC1=C(CC(O)CCl)C(=O)OC2=CC(O)=CC=C12

InChIKey

InChIKey=GNVHLOFSNCLFPL-UHFFFAOYSA-N

Formula

C13H13ClO4

Mass

268.69

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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

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - 1-benzopyran - Benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Fatty acid ester - Dihydropyranone - Fatty acyl - Benzenoid - Pyran - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Enol ester - Secondary alcohol - Lactone - Halohydrin - Chlorohydrin - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Alkyl halide - Alkyl chloride - Alcohol - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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