Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C=C2C(O)=C(OC)C(=O)C(=O)C2=C1)C(=O)OC1=CC(O)=C2CC(O)C(OC2=C1)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=GQEZAECYNQYUDK-UHFFFAOYSA-N

Formula

C29H24O12

Mass

564.499

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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 - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - 2-naphthalenecarboxylic acid - 2-naphthalenecarboxylic acid or derivatives - Naphthoquinone - 1-naphthol - Chromane - Benzopyran - Naphthalene - Phenol ester - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Quinone - Aryl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Cyclic ketone - Secondary alcohol - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Ether - Carbonyl group - Alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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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