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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
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Class
Tannins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Hydrolyzable tannins
Intermediate Tree Nodes
Not available
Direct Parent
Hydrolyzable tannins
Alternative Parents
Gallic acid and derivatives 2-halobenzoic acids and derivatives Pyranodioxins Benzoic acid esters Tricarboxylic acids and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Bromobenzenes 1,3-dioxanes Oxanes Aryl bromides Monosaccharides Vinylogous halides Carboxylic acid esters Oxacyclic compounds Acetals Organobromides Organic oxides Hydrocarbon derivatives
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