Compound Identification
SMILES
OC[C@H]1O[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]2OC(=O)C3=CC(O)=C(O)C4=C3[C@@H]3C(=CC(=O)C(O)(O)C3(O)O4)C(=O)OC1[C@@H]2O
InChIKey
InChIKey=CXTMLIMZRPKULL-PTZFQAMCSA-N
Formula
C27H22O19
Mass
650.454
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 p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Tricarboxylic acids and derivatives Pyrogallols and derivatives Coumarans Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Oxanes Monosaccharides Enoate esters Secondary alcohols Lactones Hemiacetals 1,1-diols Oxacyclic compounds Acetals Carbonyl hydrates Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Coumaran - Benzoic acid or derivatives - Benzenetriol - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Cyclic ketone - Ketone - Carboxylic acid ester - Lactone - Secondary alcohol - Hemiacetal - Acetal - Oxacycle - Organoheterocyclic compound - Carbonyl hydrate - Carboxylic acid derivative - 1,1-diol - Polyol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Alcohol - 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