Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CC2=C(O)C(Cl)=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=BHTBHJNGFQRAJI-XHDPSFHLSA-N

Formula

C15H13ClO6

Mass

324.71

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavan-3-ols

Direct Parent

Catechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - 1-benzopyran - Benzopyran - Chromane - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organooxygen compound - Alcohol - Organic oxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.

External Descriptors

Not available

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