Structure Information
Structure

Compound Identification

SMILES

O=C(COCC1=CC=CC=C1)C1=C(O[13C](=O)C2=CC(OCC3=CC=CC=C3)=C(O[C@@H]3O[C@H](COCC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@H](OCC4=CC=CC=C4)[C@H]3OCC3=CC=CC=C3)C=C2)C=C(OCC2=CC=CC=C2)C=C1OCC1=CC=CC=C1

InChIKey

InChIKey=COZPXABRMPCXOW-LPHNYKHYSA-N

Formula

C77H70O13

Mass

1204.386

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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 - Depside backbone - Phenolic glycoside - Alkyl-phenylketone - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Phenol ester - Benzoate ester - Phenylketone - Benzoic acid or derivatives - Benzylether - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Sugar acid - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - 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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