Compound Identification
SMILES
COC1=C(O)C2=C3C(=C1)C(=O)OC1=C(OC4OC(C)C(O)C(O)C4O)C(O)=CC(C(=O)O2)=C31
InChIKey
InChIKey=VNUVSIWYGWCDKI-UHFFFAOYSA-N
Formula
C21H18O12
Mass
462.363
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
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 Phenolic glycosides Hexoses O-glycosyl compounds Isocoumarins and derivatives Coumarins and derivatives 1-benzopyrans 2-benzopyrans Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Oxanes Heteroaromatic compounds Secondary alcohols Lactones Polyols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - Phenolic glycoside - Hexose monosaccharide - Isocoumarin - O-glycosyl compound - Glycosyl compound - Coumarin - Benzopyran - 1-benzopyran - 2-benzopyran - Anisole - Pyranone - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyran - Oxane - Monosaccharide - Benzenoid - Heteroaromatic compound - Secondary alcohol - Lactone - Acetal - Oxacycle - Organoheterocyclic compound - Ether - Polyol - Hydrocarbon derivative - Alcohol - 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