Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@H]3CC=C([C@@H]23)C(O)=O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=CRDBNFTZEDDVQN-ZLDWPPLCSA-N
Formula
C25H28O15
Mass
568.484
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 Gallic acid and derivatives p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives O-glycosyl compounds Aromatic monoterpenoids Dimethoxybenzenes Methoxyphenols Bicyclic monoterpenoids Iridoids and derivatives Tricarboxylic acids and derivatives Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Oxanes Monosaccharides Vinylogous esters Carboxylic acid esters Secondary alcohols Acetals Polyols Oxacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Iridoid o-glycoside - Terpene glycoside - Gallic acid or derivatives - Glycosyl compound - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Iridoid-skeleton - M-methoxybenzoic acid or derivatives - O-glycosyl compound - Dimethoxybenzene - Monoterpenoid - Benzoate ester - M-dimethoxybenzene - Methoxyphenol - Aromatic monoterpenoid - Bicyclic monoterpenoid - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Benzoyl - Alkyl aryl ether - Phenol - Oxane - Benzenoid - Monosaccharide - Monocyclic benzene moiety - Vinylogous ester - Carboxylic acid ester - Secondary alcohol - Ether - Carboxylic acid - Carboxylic acid derivative - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Organooxygen compound - 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