Compound Identification
SMILES
O[C@@H]1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C4OCC5=C(C(O)=C(O)C6=C5C4=C3C(=O)O6)C3=C(O)C(O)=C(O)C=C3C(=O)O[C@H]2[C@H](O)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=JMCHOJWVWCHHFC-MUAAPLJWSA-N
Formula
C41H28O25
Mass
920.65
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
Galloyl esters 7,8-dihydroxycoumarins Macrolides and analogues p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Oxanes Heteroaromatic compounds Secondary alcohols Lactones Hemiacetals Carboxylic acid esters Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Macrolide - 7,8-dihydroxycoumarin - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Isocoumarin - Coumarin - Benzoate ester - Benzopyran - 1-benzopyran - 2-benzopyran - Benzenetriol - Pyrogallol derivative - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Hemiacetal - Secondary alcohol - Carboxylic acid ester - Lactone - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxide - Alcohol - Hydrocarbon derivative - 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
Not available