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Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CC2=C(O[C@@H]1C1=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C1)C(Br)=C(OCC1=CC=CC=C1)C=C2OCC1=CC=CC=C1

InChIKey

InChIKey=DXWUUTLEIWQWTK-CBZWEFONSA-N

Formula

C43H37BrO6

Mass

729.667

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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 - 3-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - 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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