Structure Information
Structure

Compound Identification

SMILES

CC(O)=O.CC(O)=O.CC1=CC=C(C=C1)[C@@H]1OC2=C(C=C(Cl)C=C2)C(=O)[C@@H]1[Tl]

InChIKey

InChIKey=PRIFZJNTMGMUQI-UFRNLTNDSA-N

Formula

C20H20ClO6Tl

Mass

596.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Flavanones

Alternative Parents

Molecular Framework

Not available

Substituents

Flavanone - Chromone - 1-benzopyran - Chromane - Benzopyran - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organohalogen compound - Organic post-transition metal moeity - Organochloride - Carbonyl group - Organometallic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organothalium compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavanones. These are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a ketone at the carbon C3.

External Descriptors

Not available

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