Compound Identification
SMILES
COC(=O)CCC(=O)O[C@@]1(C)CC2=CC(OC)=C(OC)C(OC)=C2C2=C(OC)C(OC)=C(OC)C=C2C[C@@H]1C
InChIKey
InChIKey=ZPAQXFKZOKWWJD-OFJJUDJNSA-N
Formula
C29H38O10
Mass
546.613
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
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
Dibenzocyclooctadiene lignans Anisoles Fatty acid methyl esters Alkyl aryl ethers Dicarboxylic acids and derivatives Methyl esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Hydrolyzable tannin - Dibenzocyclooctane lignan - Anisole - Phenol ether - Alkyl aryl ether - Fatty acid ester - Fatty acid methyl ester - Dicarboxylic acid or derivatives - Fatty acyl - Benzenoid - Methyl ester - Carboxylic acid ester - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Aromatic homopolycyclic 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) 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