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Structure Information
Structure

Compound Identification

SMILES

BrC1=C(OCC2=CC=CC=C2)C=C(OCC2=CC=CC=C2)C2=C1O[C@@H]([C@H](C2)OCC1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=DAWNCFLKHOHXHZ-LBSNMELDSA-N

Formula

C50H43BrO6

Mass

819.792

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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 - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - 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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