Structure Information
Structure

Compound Identification

SMILES

BrC1=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1C(=O)O[C@H]1[C@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C2)O[C@@H]2CO[C@H](O[C@H]2[C@@H]1OC(=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1Br)C1=CC=CC=C1

InChIKey

InChIKey=XNEMCVKPAFFGNA-PPOCVBRBSA-N

Formula

C97H80Br2O18

Mass

1693.497

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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 - Gallic acid or derivatives - Benzoate ester - Pyranodioxin - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Oxane - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Monosaccharide - Meta-dioxane - Vinylogous halide - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Oxacycle - Acetal - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - 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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