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Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C(O)=C2C(=C1)C(=O)OC1C3OC(=O)C4=CC(=O)C5(O)OC6=C(C4C5(O)O)C(=CC(O)=C6O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)OC3COC(=O)C1=CC(O)=C(O)C(O)=C21

InChIKey

InChIKey=MWPRJJBXNINUTQ-UHFFFAOYSA-N

Formula

C48H32O32

Mass

1120.752

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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 - Hexacarboxylic acid or derivatives - Saccharolipid - Macrolide - Galloyl ester - Gallic acid or derivatives - Gallic acid - Dihydroxybenzoic acid - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Diaryl ether - Hydroxybenzoic acid - 1-benzopyran - Benzoate ester - Benzopyran - Chromane - Pyrogallol derivative - Benzoic acid or derivatives - Benzoic acid - Benzenetriol - Phenol ether - Phenoxy compound - Benzoyl - Cyclohexenone - 1-hydroxy-4-unsubstituted benzenoid - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Hemiacetal - Lactone - Carboxylic acid ester - Polyol - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Carbonyl hydrate - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Aldehyde - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - 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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