Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC=C1C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C1=CC=CC=C1

InChIKey

InChIKey=QMARSHDSNZLXFR-UHFFFAOYSA-N

Formula

C22H13BrO4

Mass

421.246

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Chromone - Benzoate ester - Benzopyran - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Halobenzene - Bromobenzene - Pyran - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

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