Compound Identification
SMILES
COC1=C(O)C=CC(=C1)C(=O)OC1CC(C)(O)[C@@H]2[C@H]1C=CO[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey
InChIKey=PJAISAAYEQAVGA-HIHSLLMFSA-N
Formula
C23H30O12
Mass
498.481
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 O-glycosyl compounds M-methoxybenzoic acids and derivatives Methoxyphenols Iridoids and derivatives Bicyclic monoterpenoids Aromatic monoterpenoids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Oxanes Tertiary alcohols Secondary alcohols Cyclic alcohols and derivatives Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Iridoid o-glycoside - Terpene glycoside - Hexose monosaccharide - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - O-glycosyl compound - M-methoxybenzoic acid or derivatives - Iridoid-skeleton - Glycosyl compound - Monoterpenoid - Methoxyphenol - Bicyclic monoterpenoid - Benzoate ester - Aromatic monoterpenoid - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - 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