Compound Identification
SMILES
OC1O[C@@H]2COC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C(OC4=C(O)C(O)=C(O)C=C4C(O)=O)=C(O)C(O)=C3O)C(=O)O[C@H]2[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1OC1=C(O)C2=C3C(=C1)C(=O)OC1=C3C(=CC(O)=C1O)C(=O)O2
InChIKey
InChIKey=XAQJVQSLUMYKAE-VUYHNECNSA-N
Formula
C55H34O36
Mass
1270.841
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 Galloyl esters 7,8-dihydroxycoumarins Gallic acids p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Diarylethers Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyrogallols and derivatives Benzoic acids Benzoyl derivatives Phenol ethers Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Heteroaromatic compounds Carboxylic acid esters Hemiacetals Lactones Polyols Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides
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 - Benzoic acid - Benzenetriol - Phenol ether - Phenoxy compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Pyran - Oxane - Monosaccharide - Heteroaromatic compound - Carboxylic acid ester - Hemiacetal - Lactone - Polyol - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organic oxygen compound - Organooxygen compound - 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