Compound Identification
SMILES
O[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(=CC(O)=C3O)C(O)=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=DPCHZXHFDMPLKV-OYBIOVBVSA-N
Formula
C96H62O61
Mass
2191.491
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
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
Ubiquinols Galloyl esters Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Salicylic acids 2-benzopyrans Pyrogallols and derivatives Hydroxyquinols and derivatives Benzoic acids Phenoxy compounds Benzoyl derivatives Phenol ethers 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ubiquinol skeleton - Galloyl ester - Trihydroxybenzoic acid - Gallic acid or derivatives - Gallic acid - Dihydroxybenzoic acid - Diaryl ether - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Hydroxybenzoic acid - Salicylic acid or derivatives - Salicylic acid - Benzoate ester - 2-benzopyran - Isochromane - Benzopyran - Pyrogallol derivative - Hydroxyquinol derivative - Benzoic acid - Benzoic acid or derivatives - Benzenetriol - Benzoyl - Phenoxy compound - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Lactone - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen 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