Compound Identification
SMILES
OCCS[C@H]1[C@H]2[C@H]3C4=C(O[C@@]3(O)C3=NC5=CC=CC=C5N=C13)C(O)=C(O)C=C4C(=O)O[C@H]1[C@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)O[C@@H]3COC(=O)C4=CC(O)=C(O)C(O)=C4C4=C(O)C(O)=C(O)C=C4C(=O)O[C@H]1[C@@H]3OC2=O
InChIKey
InChIKey=UWYLGMLPZBGDHX-LPLWFCMFSA-N
Formula
C49H36N2O25S
Mass
1084.88
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
Saccharolipids Pentacarboxylic acids and derivatives Phenazines and derivatives Galloyl esters Macrolides and analogues p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Coumarans Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Pyrazines Oxanes Monosaccharides Heteroaromatic compounds Lactones Hemiacetals Carboxylic acid esters Oxacyclic compounds Polyols Acetals Azacyclic compounds Sulfenyl compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Primary alcohols Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Saccharolipid - Pentacarboxylic acid or derivatives - Phenazine - Galloyl ester - Macrolide - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Diazanaphthalene - Quinoxaline - Benzoate ester - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Coumaran - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Oxane - Monosaccharide - Pyrazine - Heteroaromatic compound - Carboxylic acid ester - Lactone - Hemiacetal - Polyol - Thioether - Sulfenyl compound - Carboxylic acid derivative - Acetal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Oxacycle - Primary alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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