Compound Identification
SMILES
O[C@H]([C@@H](OC(=O)C1=CC(O)=C(O)C(O)=C1)C(O)=O)[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1[C@@H]1[C@@H]2OC(=O)C3=C(C(O)=C(O)C(O)=C13)C1=C(O)C(O)=C(O)C=C1C(=O)O[C@H]2[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(OC3=C(O)C(O)=C(O)C=C3C(O)=O)C=C2C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=AJXLJCPDSNUZTO-HIUHLNCKSA-N
Formula
C82H56O53
Mass
1889.297
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 Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers 2-benzopyrans Pyrogallols and derivatives Benzoic acids Phenoxy compounds Benzoyl derivatives Phenol ethers 1-hydroxy-2-unsubstituted benzenoids Beta hydroxy acids and derivatives 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Lactones Secondary alcohols Carboxylic acid esters Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Polyols Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Galloyl ester - Gallic acid or derivatives - Gallic acid - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Diaryl ether - Hydroxybenzoic acid - Isochromane - Benzopyran - Benzoate ester - 2-benzopyran - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Benzoic acid - Phenol ether - Phenoxy compound - Benzoyl - Phenol - Beta-hydroxy acid - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Lactone - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - 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) 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