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)(O4)C3(O)O)C(=O)O[C@H]1[C@@H]2O
InChIKey
InChIKey=ZOEGQXCAXOUFHN-DDKHUQCISA-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
Saccharolipids Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters 1-benzopyrans Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones 1-hydroxy-2-unsubstituted benzenoids Oxanes Monosaccharides Enoate esters Hemiacetals Secondary alcohols Lactones Oxacyclic compounds Acetals Carbonyl hydrates 1,1-diols Aldehydes Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Saccharolipid - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - 1-benzopyran - Benzopyran - Chromane - Benzoate ester - Benzenetriol - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoic acid or derivatives - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Oxane - Monocyclic benzene moiety - Monosaccharide - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Ketone - Carboxylic acid ester - Hemiacetal - Lactone - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - 1,1-diol - Carbonyl hydrate - Carboxylic acid derivative - Polyol - Aldehyde - Alcohol - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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