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Structure Information
Structure

Compound Identification

SMILES

OC1=CC(O)=C2C[C@@H](OC(=O)C3CCCCC3)[C@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=ZWQACWZBCXXZLQ-TZIWHRDSSA-N

Formula

C22H24O8

Mass

416.426

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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 - Catechins

Direct Parent

Epigallocatechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Epigallocatechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Pyrogallol derivative - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Ether - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as epigallocatechins. These are compounds containing epigallocatechin or a derivative. Epigallocatechin is a flavan-3-ol containing a benzopyran-3,5,7-triol linked to a 3,4,5-hydroxyphenyl moiety.

External Descriptors

Not available

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