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Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CC2=C(O)C=C3OC(=O)C[C@@H](C4=CC(O)=C(O)C=C4)C3=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=WHASVNKXAVKAJA-GXOFAXAKSA-N

Formula

C24H20O10

Mass

468.414

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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 - Pyranoflavonoid - Linear 1,7-diphenylheptane skeleton - Pyranoneoflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Angular pyranocoumarin - Pyranocoumarin - Pyranochromene - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Lactone - Carboxylic acid ester - Polyol - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Alcohol - 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

LIPIDMAPS (LMPK12020119) : Flavans, Flavanols and Leucoanthocyanidins

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