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Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)C2=C(O1)C=C(OC(=O)C1=CC=NC=C1)C=C2)C1=C(F)C=CC=C1Cl

InChIKey

InChIKey=UUXDEHOKQUHLFY-UHFFFAOYSA-N

Formula

C22H13ClFNO4

Mass

409.8

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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 - Benzopyran - Phenol ester - 1-benzopyran - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Chlorobenzene - Fluorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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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