Compound Identification
SMILES
OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OC3=CC(=CC(O)=C3O)C(O)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O
InChIKey
InChIKey=XCJSGXFVYBFHAN-BSAFLOKPSA-N
Formula
C18H24O14
Mass
464.376
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
Phenolic glycosides Gallic acid and derivatives O-glycosyl compounds Disaccharides Benzoic acids Phenoxy compounds Phenol ethers Catechols Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Oxanes Tetrahydrofurans Tertiary alcohols Secondary alcohols Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Acetals Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Phenolic glycoside - Gallic acid or derivatives - O-glycosyl compound - Dihydroxybenzoic acid - Glycosyl compound - Disaccharide - Hydroxybenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Phenol ether - Catechol - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Oxane - Monocyclic benzene moiety - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Acetal - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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