Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@]([H])(OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@]1([H])OC(=O)C1=CC(O)=C(O)C(O)=C1

InChIKey

InChIKey=QJYNZEYHSMRWBK-NIKIMHBISA-N

Formula

C41H32O26

Mass

940.681

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tannins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Tannins

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Tannin - Pentacarboxylic acid or derivatives - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Oxane - Monosaccharide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).

External Descriptors

CHEBI:18082 : gallate ester - galloyl beta-D-glucose
KEGG (C04576) : Ellagitannins

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