Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CC2=C(O)C=C(OC(=O)C3=CC(O)=C(O)C(O)=C3)C=C2O[C@@H]1C1=CC(O)=C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(O)=C1

InChIKey

InChIKey=DALCFFHLKBFKBK-BKMJKUGQSA-N

Formula

C29H22O15

Mass

610.48

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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 - Depside backbone - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 5-hydroxyflavonoid - Hydroxyflavonoid - Tannin - Galloyl ester - Gallic acid or derivatives - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - 1-benzopyran - Benzoate ester - Phenol ester - Chromane - Benzopyran - Benzenetriol - Pyrogallol derivative - Benzoic acid or derivatives - Phenoxy compound - Resorcinol - Benzoyl - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxygen 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

LIPIDMAPS (LMPK12020130) : Flavans, Flavanols and Leucoanthocyanidins

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