Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@H](O)[C@@](O[C@@H]2CC3=C(O)C=C(O)C=C3O[C@H]2C2=CC(O)=C(O)C=C2)(OC2=CC(O)=CC(O)=C12)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=MNKQAVLCMUQMSD-VWBULWKWSA-N

Formula

C30H26O14

Mass

610.524

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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 - 4-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzylether - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketal - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - 1,2-diol - Ether - Acetal - Oxacycle - Polyol - Organoheterocyclic compound - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - 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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