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Structure Information
Structure

Compound Identification

SMILES

COC(=O)CCC(=O)O[C@@]1(C)CC2=CC(OC)=C(OC)C(OC)=C2C2=C(OC)C(OC)=C(OC)C=C2C[C@@H]1C

InChIKey

InChIKey=ZPAQXFKZOKWWJD-OFJJUDJNSA-N

Formula

C29H38O10

Mass

546.613

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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 homopolycyclic compounds

Substituents

Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic 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) 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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