Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C(=O)O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=QAXISZJBSORHRN-NFBKMPQASA-N

Formula

C24H22O11

Mass

486.429

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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 - Hydrolyzable tannin - Epigallocatechin - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Tannin - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - Benzoate ester - Chromane - Benzopyran - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Organoheterocyclic compound - Ether - Oxacycle - Polyol - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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

LIPIDMAPS (LMPK12020122) : Flavans, Flavanols and Leucoanthocyanidins

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