Compound Identification
SMILES
OC1=C(O)C(O)=C(OC2=CC(=CC(O)=C2O)C(=O)O[C@H]2O[C@@H]3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@@H]23)C(=C1)C(=O)O[C@H]1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]12
InChIKey
InChIKey=BZAFROBDXRJYTQ-JVEQELPQSA-N
Formula
C82H54O52
Mass
1871.282
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
Diphenylethers Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Pyrogallols and derivatives Benzoyl derivatives Catechols Phenoxy compounds Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes Lactones Carboxylic acid esters Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Galloyl ester - Diphenylether - Gallic acid or derivatives - Dihydroxybenzoic acid - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Diaryl ether - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Carboxylic acid ester - Lactone - Polyol - Ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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
CHEBI:581177 :
tannin
KEGG (C10210) :
Ellagitannins