Compound Identification
SMILES
OC1=CC(=CC(O)=C1O)C(=O)OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
InChIKey
InChIKey=XRWBAPLAQNNNEA-UHFFFAOYSA-N
Formula
C21H10O12
Mass
454.299
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
Ellagic acids and derivatives 7,8-dihydroxycoumarins Galloyl esters p-Hydroxybenzoic acid esters m-Hydroxybenzoic acid esters Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Phenol esters Pyrogallols and derivatives Benzoyl derivatives Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - 7,8-dihydroxycoumarin - Galloyl ester - Gallic acid or derivatives - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Isocoumarin - Coumarin - Phenol ester - Benzopyran - 1-benzopyran - 2-benzopyran - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoyl - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Pyran - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactone - Carboxylic acid derivative - Polyol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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) 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