Compound Identification
SMILES
OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4CC(=O)c5c(c(O)c(O)c6CC(=O)c3c4-c56)-c3c(O)c(O)c(O)cc3C(=O)OC1C1OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)cc3C(=O)OC21
InChIKey
InChIKey=ITHRCLOXJJMETN-UHFFFAOYSA-N
Formula
C50H32O28
Mass
1080.778
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
Phenanthrenes and derivatives Tetracarboxylic acids and derivatives Gallic acid and derivatives Naphthols and derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Hemiacetals Carboxylic acid esters Lactones Oxacyclic compounds Polyols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Phenanthrene - Tetracarboxylic acid or derivatives - Gallic acid or derivatives - 2-naphthol - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monosaccharide - Benzenoid - Oxane - Carboxylic acid ester - Hemiacetal - Ketone - Lactone - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Polyol - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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