Compound Identification
SMILES
OC1=CC(=CC(O)=C1O)C(=O)O[C@H]1[C@@H](OC(=O)C2=CC(O)=C(O)C(OC3=C(O)C(O)=C(O)C=C3C(=O)O[C@@H]3O[C@@H]4COC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)O[C@H]4[C@@H]4OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)O[C@@H]34)=C2)O[C@@H]2COC3=C(O[C@H]2[C@@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C1=CC(O)=C(O)C(O)=C1C1=C(O)C(O)=C(O)C=C31
InChIKey
InChIKey=NYVCMROWMXMBDJ-KGLDGZCVSA-N
Formula
C82H56O50
Mass
1841.3
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
Phenanthrols Diphenylethers Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Naphthols and derivatives Pyrogallols and derivatives Benzoyl derivatives Catechols Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Lactones Carboxylic acid esters Acetals Polyols Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Phenanthrol - Phenanthrene - Galloyl ester - Diphenylether - Gallic acid or derivatives - M-hydroxybenzoic acid ester - Dihydroxybenzoic acid - P-hydroxybenzoic acid alkyl ester - 2-naphthol - Diaryl ether - 1-naphthol - P-hydroxybenzoic acid ester - Naphthalene - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Pyrogallol derivative - Phenoxy compound - Catechol - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Oxane - Lactone - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - 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) 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