Structure Information
Structure

Compound Identification

SMILES

OC1C(OC2=CC(O)=CC(O)=C2C1C1=C(O)C=C(O)C2(O)CC(OC(=O)C3=CC(O)=C(O)C(O)=C3)C(OC12O)C1=CC=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=QHZODGIKEZPDAQ-UHFFFAOYSA-N

Formula

C37H32O19

Mass

780.644

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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 - 4-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - C-glycosyl compound - Glycosyl compound - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Catechol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Oxane - Monosaccharide - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Ether - Organoheterocyclic compound - Enol - Carboxylic acid derivative - Oxacycle - Organic oxide - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxygen 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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