Structure Information
Structure

Compound Identification

SMILES

C[C@H](SCCO)C1=C(O)C=C(O)C2=C1O[C@@H]([C@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@H]2SCCO)C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=PHTWKNMAKKATAO-PRNODZMISA-N

Formula

C28H30O12S2

Mass

622.66

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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 - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzopyran - Chromane - Benzoate ester - 1-benzopyran - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Catechol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Ether - Carboxylic acid derivative - Polyol - Oxacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Dialkylthioether - Organosulfur compound - Organic oxygen compound - Organic oxide - Alcohol - Primary alcohol - Hydrocarbon derivative - Organooxygen 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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