Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=VIUNGBRQZJFLQR-PNYQWYFFSA-N

Formula

C21H22O14

Mass

498.393

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tannins

Subclass

Hydrolyzable tannins

Intermediate Tree Nodes

Not available

Direct Parent

Hydrolyzable tannins

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Hydrolyzable tannin - Phenolic glycoside - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Glycosyl compound - Dihydroxybenzoic acid - O-glycosyl compound - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Benzoyl - Catechol - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Oxane - Dicarboxylic acid or derivatives - Monosaccharide - Methyl ester - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as hydrolyzable tannins. These are tannins with a structure characterized by either of the following models. In model 1, the structure contains galloyl units (in some cases, shikimic acid units) that are linked to diverse polyol carbohydrate-, catechin-, or triterpenoid units. In model 2, contains at least two galloyl units C-C coupled to each other, and do not contain a glycosidically linked catechin unit.

External Descriptors

Not available

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