Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C2=C3C(=C1)C(=O)OC1=C(OC4OC(C)C(O)C(O)C4O)C(O)=CC(C(=O)O2)=C31

InChIKey

InChIKey=VNUVSIWYGWCDKI-UHFFFAOYSA-N

Formula

C21H18O12

Mass

462.363

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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 - Ellagic_acid - Phenolic glycoside - Hexose monosaccharide - Isocoumarin - O-glycosyl compound - Glycosyl compound - Coumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyran - Oxane - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Polyol - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - 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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