Structure Information
Structure

Compound Identification

SMILES

OC1C(OC(=O)C2=CC(O)=C(O)C(O)=C2)OC2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(OC4=C(O)C(O)=C(O)C=C4C(O)=O)C=C3C(=O)OC1C2OC(=O)C(=CC(O)=O)C1C(OC(=O)C2=CC(O)=C(O)C(O)=C12)C(O)=O

InChIKey

InChIKey=MOXIBUYRLMGMJE-UHFFFAOYSA-N

Formula

C48H34O33

Mass

1138.767

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