Compound Identification
SMILES
O[C@@H]1COC([C@@H]1O)C1=CC2=C(C(=O)O1)C(=C(O)C(O)=C2O)C1=C(O)C(O)=C2OC(=O)C3=CC(O)=C(O)C4=C3C2=C1C(=O)O4
InChIKey
InChIKey=XQVPPVAZYFCVLH-MKMKHQHKSA-N
Formula
C27H16O16
Mass
596.409
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 Biphenols 7,8-dihydroxycoumarins Isocoumarins and derivatives 1-benzopyrans 2-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Oxolanes Heteroaromatic compounds Lactones 1,2-diols Secondary alcohols Dialkyl ethers Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - Biphenol - 7,8-dihydroxycoumarin - Coumarin - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Benzenoid - Pyran - Oxolane - Heteroaromatic compound - Secondary alcohol - Lactone - 1,2-diol - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Polyol - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen 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) 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