Structure Information
Structure

Compound Identification

SMILES

COC1=CC(C=CCOC(=O)CC(C)(CC(O)=O)OC(=O)C2(O)CC(O)C(O)C(C2)OC(C)=O)=CC(O)=C1OC1OC(CO)C(O)C(O)C1O

InChIKey

InChIKey=APFZZFOFVLPZOR-UHFFFAOYSA-N

Formula

C31H42O19

Mass

718.658

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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 heteromonocyclic compounds

Substituents

Hydrolyzable tannin - Phenolic glycoside - Quinic acid - Tetracarboxylic acid or derivatives - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Phenol ether - Anisole - Phenoxy compound - Methoxybenzene - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Cyclohexanol - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Monosaccharide - Cyclitol or derivatives - Benzenoid - Oxane - Cyclic alcohol - Tertiary alcohol - Carboxylic acid ester - Secondary alcohol - Polyol - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Acetal - Organoheterocyclic compound - Ether - Carbonyl group - Organic oxygen compound - Primary alcohol - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aromatic heteromonocyclic 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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