Compound Identification
SMILES
OC1COC(=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=C2OC(=O)C1C(OC(=O)C1=CC(O)=C(O)C(O)=C1)C(OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2)C=O
InChIKey
InChIKey=QHUFBIOFLFOWEC-UHFFFAOYSA-N
Formula
C55H34O35
Mass
1254.842
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
Ellagic acids and derivatives 7,8-dihydroxycoumarins Galloyl esters Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyrogallols and derivatives Benzoic acids Phenoxy compounds Benzoyl derivatives Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Monosaccharides Heteroaromatic compounds Carboxylic acid esters Secondary alcohols Lactones Oxacyclic compounds Carboxylic acids Polyols Monocarboxylic acids and derivatives Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - Galloyl ester - 7,8-dihydroxycoumarin - Gallic acid or derivatives - Gallic acid - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - P-hydroxybenzoic acid alkyl ester - Diaryl ether - Coumarin - Isocoumarin - Hydroxybenzoic acid - Benzoate ester - 1-benzopyran - 2-benzopyran - Benzopyran - Pyrogallol derivative - Benzoic acid or derivatives - Benzenetriol - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Monosaccharide - Heteroaromatic compound - Lactone - Carboxylic acid ester - Secondary alcohol - Ether - Monocarboxylic acid or derivatives - Polyol - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Aldehyde - 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