Compound Identification
SMILES
[H][C@]1(CO)O[C@@]([H])(OC(=O)CC2=C(O)C=C(O)C=C2OC(=O)C2=CC(O)=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChIKey
InChIKey=PMGSXQWLXSHYIN-UVPIGPOJSA-N
Formula
C21H22O13
Mass
482.394
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
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
Depsides and depsidones Hexoses p-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters Hydroxybenzoic acid derivatives Phenol esters Benzoyl derivatives Catechols Resorcinols Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Oxanes Secondary alcohols Carboxylic acid esters Acetals Oxacyclic compounds Polyols Organic oxides Primary alcohols Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Depside backbone - Hexose monosaccharide - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Phenol ester - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Catechol - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Dicarboxylic acid or derivatives - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Carboxylic acid ester - Secondary alcohol - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Oxacycle - Polyol - Primary alcohol - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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