Structure Information
Structure

Compound Identification

SMILES

OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C4=C3[C@@H]3C(=CC(=O)[C@@](O)(O4)C3(O)O)C(=O)O[C@H]1[C@@H]2O

InChIKey

InChIKey=ZOEGQXCAXOUFHN-DDKHUQCISA-N

Formula

C27H22O19

Mass

650.454

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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 heteropolycyclic compounds

Substituents

Hydrolyzable tannin - Saccharolipid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - 1-benzopyran - Benzopyran - Chromane - Benzoate ester - Benzenetriol - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Hemiacetal - Lactone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - 1,1-diol - Carbonyl hydrate - Carboxylic acid derivative - Polyol - Aldehyde - Alcohol - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic 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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