Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C12OC(C)(C(C1OC1OC(CO)C(O)C(O)C1O)C1=C(O)C=C(O)C=C1O2)C(C)=O

InChIKey

InChIKey=DHJQGIFMZKHMDS-UHFFFAOYSA-N

Formula

C27H32O14

Mass

580.539

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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 - 3p-methoxyflavonoid-skeleton - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Chromane - Benzopyran - Methoxyphenol - 1-benzopyran - Dimethoxybenzene - M-dimethoxybenzene - Anisole - Phenoxy compound - Methoxybenzene - Phenol ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Ketal - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Tetrahydrofuran - Secondary alcohol - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carbonyl group - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxygen compound - Organooxygen compound - Organic oxide - 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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