Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@H](OC2=CC(O)=C3C[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H](OC3=C2)C2=CC(O)=C(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChIKey

InChIKey=MVFJPVYFZQOLSA-YUZCJUIBSA-N

Formula

C34H38O21

Mass

782.657

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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

Catechin gallates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin gallate - Flavonoid o-glycoside - Flavonoid-4p-o-glycoside - Flavonoid-7-o-glycoside - Epigallocatechin - 3'-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Fatty acyl glycoside of mono- or disaccharide - Phenolic glycoside - Fatty acyl glycoside - Galloyl ester - Gallic acid or derivatives - Alkyl glycoside - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Glycosyl compound - O-glycosyl compound - Benzoate ester - 1-benzopyran - Chromane - Benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Benzoyl - Resorcinol - Phenol ether - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Secondary alcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Polyol - Acetal - Ether - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechin gallates. These are organic compounds containing a gallate moiety glycosidically linked to a catechin.

External Descriptors

Not available

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