Structure Information
Structure

Compound Identification

SMILES

OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@H](OC2=C1)C1=CC(=O)C2(O)C(=O)C1C1=C2C(O)=C(O)C=C1[C@H]1OC2=CC(O)=CC(O)=C2C[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=GQNPAYHKTZPCQO-JGNPBTQJSA-N

Formula

C44H32O21

Mass

896.719

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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 - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Benzotropolone - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Indanone - Benzoate ester - Chromane - Benzopyran - 1-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Indane - Benzoyl - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Polyol - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - 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

Not available

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