Structure Information
Structure

Compound Identification

SMILES

O[C@H]1[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC2=CC(O)=C3[C@H]([C@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@H](OC3=C2)C2=CC(O)=C(O)C(O)=C2)C2=C(O)C=C(O)C=C2O)O[C@@H]1COC(=O)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=RYRNUMFSMGLTQX-KOIYDAQESA-N

Formula

C48H40O27

Mass

1048.821

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

Not available

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