Compound Identification
SMILES
[H][C@@]1(COC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@]([H])(OC2=CC(=CC(O)=C2O)C(=O)OC)[C@@]([H])(O)[C@]([H])(O)[C@]1([H])O
InChIKey
InChIKey=VIUNGBRQZJFLQR-PNYQWYFFSA-N
Formula
C21H22O14
Mass
498.393
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
Phenolic glycosides Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters O-glycosyl compounds Pyrogallols and derivatives Phenoxy compounds Phenol ethers Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Dicarboxylic acids and derivatives Monosaccharides Methyl esters Secondary alcohols Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Phenolic glycoside - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Glycosyl compound - Dihydroxybenzoic acid - O-glycosyl compound - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Benzoyl - Catechol - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Oxane - Dicarboxylic acid or derivatives - Monosaccharide - Methyl ester - Carboxylic acid ester - Secondary alcohol - Polyol - Carboxylic acid derivative - Oxacycle - Acetal - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic 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