Compound Identification
SMILES
[H][C@]1(CO)C[C@]([H])(OC(=O)C2=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C=C3C(O)=O)=C2)[C@@]2([H])OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)O[C@@]2([H])[C@]1([H])O
InChIKey
InChIKey=YLHKRZUROLLGIA-KOHFBFHBSA-N
Formula
C35H28O22
Mass
800.587
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
Tetracarboxylic acids and derivatives Diphenylethers Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Pyrogallols and derivatives Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Lactones Carboxylic acids Polyols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Diphenylether - Tetracarboxylic acid or derivatives - Gallic acid or derivatives - Gallic acid - Diaryl ether - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Hydroxybenzoic acid - Benzoate ester - Benzenetriol - Pyrogallol derivative - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Phenol ether - Catechol - Phenoxy compound - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Polyol - Carboxylic acid - Ether - Primary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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