Structure Information
Structure

Compound Identification

SMILES

[H][C@]1(C)CC2=CC3=C(OCO3)C(OC)=C2C2=C(OC)C3=C(OCO3)C=C2[C@]([H])(OC(=O)C2=CC=CC=C2)[C@@]1([H])C

InChIKey

InChIKey=MBGKPRSARHEFAG-CCHLGUQTSA-N

Formula

C29H28O8

Mass

504.535

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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 - Dibenzocyclooctane lignan - Benzoate ester - Benzodioxole - Benzoic acid or derivatives - Anisole - Benzoyl - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Acetal - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - 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

CHEBI:66082 : aromatic ether - organic heteropentacyclic compound - benzoate ester - oxacycle - lignan

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