Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC2=C1OCO2)C(=O)OC1C2[C@]3(C)C(C[C@H]4OC(=O)C[C@@](O)(C(C)=C1OC)[C@@]24C)C(C)CC(O)C3=O

InChIKey

InChIKey=YRGKNTFWWADMBW-ZYOVXROMSA-N

Formula

C30H36O11

Mass

572.607

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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

Triterpenoid - Hydrolyzable tannin - C-20 quassinoid skeleton - Quassinoid - Naphthopyran - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Naphthalene - Benzodioxole - Anisole - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Dicarboxylic acid or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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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