Compound Identification
SMILES
OC1=CC(=CC(O)=C1O)C(=O)OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2OC2=C(O)C(O)=C3C(=C2)C(=O)OC[C@H]2O[C@@H](OC(=O)C4=CC(O)=C(O)C(O)=C4)[C@@H]4OC(=O)C5=CC(O)=C(O)C6=C5[C@@H]5C(=CC(=O)[C@@](O)(O6)C5(O)O)C(=O)O[C@H]2[C@@H]4OC(=O)C2=CC(O)=C(O)C(O)=C32)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=ZMUIWKCNGGBQDL-MDKFKTLQSA-N
Formula
C82H58O53
Mass
1891.313
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
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
Macrolides and analogues Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers 1-benzopyrans Pyrogallols and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Enoate esters Lactones Hemiacetals Polyols Oxacyclic compounds Carbonyl hydrates Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Galloyl ester - Macrolide - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Diaryl ether - 1-benzopyran - Benzopyran - Chromane - Benzoate ester - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Phenol - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Ketone - Hemiacetal - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid derivative - Carbonyl hydrate - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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