Structure Information
Structure

Compound Identification

SMILES

CCCCCCO\N=C\C(CO)NC(=O)C1=C(C2=C(OCO2)C(OC)=C1Br)C1=C(C(=O)OC)C(Br)=C(OC)C2=C1OCO2

InChIKey

InChIKey=RRDLYBOJHWXDHD-VNTWQREPSA-N

Formula

C28H32Br2N2O11

Mass

732.375

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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 - Polybrominated biphenyl - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Vinylogous halide - Methyl ester - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organobromide - 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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