Compound Identification
SMILES
COC(=O)C1=CC(OC)=C2OCOC2=C1C1=C2OCOC2=C(OC)C=C1C(=O)OC1=C(Br)C=C(\C=C2/SC(=O)NC2=O)C=C1
InChIKey
InChIKey=JXANRXRCJXVIIO-GXHLCREISA-N
Formula
C29H20BrNO12S
Mass
686.44
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 Anisoles Bromobenzenes Thiazolidinediones Alkyl aryl ethers Dicarboxylic acids and derivatives Aryl bromides Dicarboximides Methyl esters Thiocarbamic acid derivatives Azacyclic compounds Acetals Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides 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 - Halobenzene - Alkyl aryl ether - Bromobenzene - Thiazolidinedione - Monocyclic benzene moiety - Aryl halide - Dicarboxylic acid or derivatives - Aryl bromide - Benzenoid - Thiazolidine - Dicarboximide - Methyl ester - Thiocarbamic acid derivative - Carboxylic acid ester - Ether - Oxacycle - Carboxylic acid derivative - Acetal - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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