Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)OCC1=C[C@@H](O)C2C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C12
InChIKey
InChIKey=VTYVNBXSLBXSGD-ILWKNIKNSA-N
Formula
C23H28O12
Mass
496.465
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
Iridoid O-glycosides Hexoses p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives O-glycosyl compounds Aromatic monoterpenoids Bicyclic monoterpenoids Iridoids and derivatives Methoxyphenols Anisoles Methoxybenzenes Benzoyl derivatives Phenoxy compounds Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes Secondary alcohols Carboxylic acid esters Monocarboxylic acids and derivatives Polyols Acetals Oxacyclic compounds Primary alcohols Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Iridoid o-glycoside - Terpene glycoside - Hexose monosaccharide - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - M-methoxybenzoic acid or derivatives - O-glycosyl compound - Glycosyl compound - Iridoid-skeleton - Methoxyphenol - Monoterpenoid - Aromatic monoterpenoid - Bicyclic monoterpenoid - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Monosaccharide - Oxane - Secondary alcohol - Carboxylic acid ester - Acetal - Oxacycle - Organoheterocyclic compound - Polyol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Primary alcohol - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - 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