Compound Identification
SMILES
OC1OC2COC(=O)C3=C(C(O)=C(O)C(O)=C3)C3=C(O)C(O)=C4OC5=C(O)C(O)=C(O)C=C5C(=O)OC5C(O)OC6COC(=O)C7=C(C(O)=C8OC9(O)C(OC8=C7)C(=CC(=O)C9(O)O)C(=O)OC1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C2OC(=O)C3=C4)C1=CC(=C(O)C(O)=C1O)C(=O)OC6C5OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=GVAZVNNLUHMGOF-UHFFFAOYSA-N
Formula
C68H48O45
Mass
1585.087
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 Diarylethers Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Cyclohexenones Para dioxins Oxanes Monosaccharides Vinylogous acids Enoate esters Hemiacetals Lactones Oxacyclic compounds Carbonyl hydrates Polyols Organic oxides 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 - Diaryl ether - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Cyclohexenone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monosaccharide - Monocyclic benzene moiety - Para-dioxin - Oxane - Benzenoid - Vinylogous acid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Cyclic ketone - Hemiacetal - Ketone - Carboxylic acid ester - Polyol - Oxacycle - Organoheterocyclic compound - Carbonyl hydrate - Carboxylic acid derivative - Ether - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - 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