Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@H]1C1=CC(=O)C2(O)C(=O)C1C1=C([C@H]3OC4=CC(O)=CC(O)=C4C[C@H]3OC(=O)C3=CC(O)=C(O)C(O)=C3)C(O)=C(O)C(O)=C21

InChIKey

InChIKey=RUFNKJZSFJJLEA-MMSZKOOXSA-N

Formula

C37H28O18

Mass

760.613

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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 - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Indane - Benzoyl - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Ketone - Secondary alcohol - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - 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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