Compound Identification
SMILES
COC(=O)C1=CC(OC)=C2OCOC2=C1C1=C2OCOC2=C(OC)C=C1C(=O)OC1=C(Cl)C=C(Cl)C=C1\C=C1\SC(=O)NC1=O
InChIKey
InChIKey=CTWSHXAYAWNVEW-BLLMUTORSA-N
Formula
C29H19Cl2NO12S
Mass
676.43
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
Gallic acid and derivatives M-methoxybenzoic acids and derivatives Phenol esters Benzodioxoles Phenoxy compounds Dichlorobenzenes Anisoles Thiazolidinediones Alkyl aryl ethers Dicarboxylic acids and derivatives Aryl chlorides Dicarboximides Methyl esters Thiocarbamic acid derivatives Azacyclic compounds Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - Phenol ester - Benzodioxole - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Thiazolidinedione - Halobenzene - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Dicarboximide - Methyl ester - Thiazolidine - Carboxylic acid ester - Thiocarbamic acid derivative - Oxacycle - Carboxylic acid derivative - Azacycle - Acetal - Organoheterocyclic compound - Ether - Organooxygen compound - Organohalogen compound - Carbonyl group - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxide - 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