Compound Identification
SMILES
CC(=O)COC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC3C2OC(=O)C2=CC(=O)C4(O)Oc5c(O)c(O)cc(c5C2C4(O)O)C(=O)OC13
InChIKey
InChIKey=JSHZRFOAERRVHM-UHFFFAOYSA-N
Formula
C37H28O24
Mass
856.607
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
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Class
Tannins
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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
Tetracarboxylic acids and derivatives Macrolides and analogues Gallic acid and derivatives 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Enoate esters Lactones Hemiacetals Polyols Oxacyclic compounds Carbonyl hydrates Acetals Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Macrolide - Tetracarboxylic acid or derivatives - Gallic acid or derivatives - Dihydroxybenzoic acid - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Monosaccharide - Oxane - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Hemiacetal - Ketone - Carboxylic acid ester - Acetal - Carbonyl hydrate - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organooxygen compound - 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