Compound Identification
SMILES
CCCCCCO\N=C\C(CO)NC(=O)C1=C(C2=C(OCO2)C(OC)=C1Br)C1=C(C(=O)OC)C(Br)=C(OC)C2=C1OCO2
InChIKey
InChIKey=RRDLYBOJHWXDHD-VNTWQREPSA-N
Formula
C28H32Br2N2O11
Mass
732.375
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
Polybrominated biphenyls Gallic acid and derivatives M-methoxybenzoic acids and derivatives 2-halobenzoic acids and derivatives Benzodioxoles Anisoles Alkyl aryl ethers Aryl bromides Vinylogous halides Methyl esters Secondary carboxylic acid amides Oxime ethers Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Hydrocarbon derivatives Organobromides Organopnictogen compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Polybrominated biphenyl - Gallic acid or derivatives - M-methoxybenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzodioxole - Anisole - Alkyl aryl ether - Aryl bromide - Aryl halide - Benzenoid - Vinylogous halide - Methyl ester - Carboxamide group - Oxime ether - Secondary carboxylic acid amide - Carboxylic acid ester - Acetal - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organobromide - 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