Compound Identification
SMILES
OC1=CC(=CC(O)=C1O)C(=O)OCC1OC(OC(=O)C2=CC(O)=C(O)C(O)=C2)C2OC(=O)C3=CC(O)=C(O)C4=C3[C@@H]3C(=CC(=O)C(O)(O)C3(O)O4)C(=O)OC1C2OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=NUPTUAXNMUIMFS-WGNFLYABSA-N
Formula
C41H30O27
Mass
954.664
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Tannins
- Subclass Hydrolyzable tannins
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Class
Tannins
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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
Pentacarboxylic acids and derivatives Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Pyrogallols and derivatives Coumarans Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Cyclohexenones Oxanes Monosaccharides Enoate esters Lactones Hemiacetals Polyols Carbonyl hydrates Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Pentacarboxylic acid or derivatives - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Benzenetriol - Pyrogallol derivative - Coumaran - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Oxane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Cyclic ketone - Hemiacetal - Ketone - Lactone - Acetal - Carboxylic acid derivative - Carbonyl hydrate - Organoheterocyclic compound - Oxacycle - Polyol - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - 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