Compound Identification
SMILES
O[C@H]([C@H](O)[C@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(C=C(O)C(O)=C2O)C(=O)OC[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)[C@H](O)C1=C2C(=O)OC3=CC(O)=C(O)C4=C(O)OC(=C(O)C1=O)C2=C34
InChIKey
InChIKey=XFIRMTHFIDXCGV-BFMPKQKFSA-N
Formula
C41H28O26
Mass
936.649
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 6,7-dihydroxycoumarins p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Isocoumarins and derivatives 2-benzopyrans 1-benzopyrans Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Secondary alcohols Lactones Cyclic ketones Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Galloyl ester - 6,7-dihydroxycoumarin - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Isocoumarin - Coumarin - 2-benzopyran - 1-benzopyran - Benzopyran - Benzoate ester - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic ketone - Secondary alcohol - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - 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