Compound Identification
SMILES
O=C(COCC1=CC=CC=C1)C1=C(O[13C](=O)C2=CC(OCC3=CC=CC=C3)=C(O[C@@H]3O[C@H](COCC4=CC=CC=C4)[C@@H](OCC4=CC=CC=C4)[C@H](OCC4=CC=CC=C4)[C@H]3OCC3=CC=CC=C3)C=C2)C=C(OCC2=CC=CC=C2)C=C1OCC1=CC=CC=C1
InChIKey
InChIKey=COZPXABRMPCXOW-LPHNYKHYSA-N
Formula
C77H70O13
Mass
1204.386
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
Depsides and depsidones Phenolic glycosides Alkyl-phenylketones Hexoses O-glycosyl compounds Benzoic acid esters Phenol esters Benzylethers Phenol ethers Phenoxy compounds Benzoyl derivatives Aryl alkyl ketones Sugar acids and derivatives Alkyl aryl ethers Oxanes Carboxylic acid esters Monocarboxylic acids and derivatives Dialkyl ethers Acetals Oxacyclic compounds Organic oxides Aldehydes Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Depside backbone - Phenolic glycoside - Alkyl-phenylketone - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Phenol ester - Benzoate ester - Phenylketone - Benzoic acid or derivatives - Benzylether - Aryl alkyl ketone - Aryl ketone - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Sugar acid - Monocyclic benzene moiety - Benzenoid - Oxane - Monosaccharide - Carboxylic acid ester - Ketone - Ether - Dialkyl ether - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Acetal - Monocarboxylic acid or derivatives - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteromonocyclic 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