Compound Identification
SMILES
OC[C@H]1OC(O)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2OC2=C(O)C3=C4C(=C2)C(=O)OC2=C4C(=CC(O)=C2O)C(=O)O3)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@@H]1O
InChIKey
InChIKey=UCTUGQCJSNXNNR-URKRHJQISA-N
Formula
C34H24O22
Mass
784.544
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
Ellagic acids and derivatives 7,8-dihydroxycoumarins Galloyl esters Hexoses p-Hydroxybenzoic acid alkyl esters Diarylethers m-Hydroxybenzoic acid esters Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyrogallols and derivatives Phenol ethers Phenoxy compounds Benzoyl derivatives Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Lactones Carboxylic acid esters Hemiacetals Secondary alcohols Oxacyclic compounds Polyols Hydrocarbon derivatives Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - 7,8-dihydroxycoumarin - Galloyl ester - Hexose monosaccharide - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Isocoumarin - Coumarin - Diaryl ether - 1-benzopyran - 2-benzopyran - Benzoate ester - Benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Benzoyl - Phenol ether - Phenol - Pyranone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Oxane - Monocyclic benzene moiety - Monosaccharide - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Secondary alcohol - Hemiacetal - Carboxylic acid ester - Polyol - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - 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