Compound Identification
SMILES
O[C@H]1[C@H](O)[C@@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)[C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)O[C@@H]1COC(=O)C1=CC(O)=C(O)C(O)=C1
InChIKey
InChIKey=LLENXGNWVNSBQG-VFTFQOQOSA-N
Formula
C27H24O18
Mass
636.471
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Tannins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Tannins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tannins
Alternative Parents
Galloyl esters p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Tricarboxylic acids and derivatives Pyrogallols and derivatives Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monosaccharides Oxanes Secondary alcohols Carboxylic acid esters 1,2-diols Oxacyclic compounds Acetals Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Tannin - Galloyl ester - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzenetriol - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Pyrogallol derivative - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monosaccharide - Oxane - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - 1,2-diol - Secondary alcohol - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as tannins. These are naturally occurring polyphenols which be categorized into four main classes: hydrolyzable tannin (based on ellagic acid or gallic acid), condensed tannins (made of oligomeric or polymeric proanthocyanidins), complex tannins (made of a catechin bound to a gallotannin or elagitannin), and phlorotannins (oligomers of phloroglucinol).
External Descriptors
CHEBI:27395 : gallate ester - galloyl beta-D-glucose