Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=C(C=C1Cl)C(C1=C(O)C2=CC=CC=C2OC1=O)C1=C(O)C2=CC=CC=C2OC1=O

InChIKey

InChIKey=ZJOTXCSLAGAHSR-UHFFFAOYSA-N

Formula

C26H17ClO8

Mass

492.86

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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

4-hydroxycoumarin - Methoxyphenol - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - 3-chlorophenol - 3-halophenol - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - Pyranone - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Pyran - Benzenoid - Heteroaromatic compound - Vinylogous acid - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen 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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