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Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=C(C=CC(=O)C2=CC3=C(OCCO3)C=C2)C=C1

InChIKey

InChIKey=JTGBZIJCASWRRL-UHFFFAOYSA-N

Formula

C17H13BrO3

Mass

345.192

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Linear 1,3-diarylpropanoids

Subclass

Chalcones and dihydrochalcones

Intermediate Tree Nodes

Not available

Direct Parent

Retrochalcones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Retrochalcone - Cinnamic acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Styrene - Aryl ketone - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Para-dioxin - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.

External Descriptors

Not available

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