Structure Information
Structure

Compound Identification

SMILES

OC1=C(Br)C=C2C(OC(=O)C=C2C2OCC3OC(OC3CO2)C2=CC=CC=C2)=C1

InChIKey

InChIKey=ITFWJKIHQKUMBR-UHFFFAOYSA-N

Formula

C21H17BrO7

Mass

461.264

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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 - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - 1,3-dioxepane - Pyranone - Dioxepane - Aryl bromide - Aryl halide - Benzenoid - Pyran - Monocyclic benzene moiety - Meta-dioxolane - Heteroaromatic compound - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organobromide - Organohalogen compound - 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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