Compound Identification
SMILES
COc1cc2c3c(oc(=O)c4cc(OC5OC(COC(C)=O)C(OC(C)=O)C(O)C5O)c(OC)c(oc2=O)c34)c1O
InChIKey
InChIKey=BENQPBKPXHXWKN-UHFFFAOYSA-N
Formula
C26H24O15
Mass
576.463
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
Ellagic acids and derivatives Phenolic glycosides Coumarins and derivatives Isocoumarins and derivatives O-glycosyl compounds 1-benzopyrans 2-benzopyrans Anisoles Alkyl aryl ethers Pyranones and derivatives Dicarboxylic acids and derivatives Oxanes Monosaccharides Heteroaromatic compounds Lactones Carboxylic acid esters 1,2-diols Secondary alcohols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Ellagic_acid - Phenolic glycoside - Isocoumarin - O-glycosyl compound - Glycosyl compound - Coumarin - 2-benzopyran - 1-benzopyran - Benzopyran - Anisole - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Monosaccharide - Dicarboxylic acid or derivatives - Heteroaromatic compound - 1,2-diol - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Oxacycle - Acetal - Carboxylic acid derivative - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alcohol - Organooxygen compound - 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) 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