Compound Identification
SMILES
OC1COC2(O)C1OC(=O)C21OC2(O)C(=O)CC11C3C4=C(OC23O)C(O)=C(O)C=C4C(=O)OC2C(OC(=O)C3=CC(O)=C(O)C(O)=C3)OC3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)OC2C3OC1=O
InChIKey
InChIKey=XCXWMHRRISFUFF-UHFFFAOYSA-N
Formula
C47H34O32
Mass
1110.757
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
Hexacarboxylic acids and derivatives Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Isosorbides Furopyrans Pyrogallols and derivatives Coumarans Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Monosaccharides Gamma butyrolactones Oxanes Pyrans Furans Tetrahydrofurans Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Ketones Hemiacetals Acetals Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Hexacarboxylic acid or derivatives - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Isosorbide - Benzoate ester - Benzenetriol - Coumaran - Pyrogallol derivative - Furopyran - Benzoic acid or derivatives - Furofuran - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Pyran - Oxane - Gamma butyrolactone - Monosaccharide - Benzenoid - Cyclic alcohol - Furan - Tetrahydrofuran - Ketone - Secondary alcohol - Lactone - Hemiacetal - Carboxylic acid ester - Polyol - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen 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