Compound Identification
SMILES
O[C@@H]1[C@@H](O)[C@@H]2OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(O)C(O)=C(O)C=C3C(=O)OC[C@H]2O[C@H]1OC(=O)\C=C\C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=HLZYMQVTDCUYPD-KRGFGPISSA-N
Formula
C29H24O17
Mass
644.494
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
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Class
Tannins
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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
Hydroxycinnamic acid glycosides Cinnamic acid esters Coumaric acids and derivatives Gallic acid and derivatives Tricarboxylic acids and derivatives Catechols Styrenes Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Enoate esters Lactones Secondary alcohols 1,2-diols Oxacyclic compounds Acetals Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Hydroxycinnamic acid glycoside - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Gallic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Tricarboxylic acid or derivatives - Styrene - Catechol - Fatty acid ester - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Oxane - Fatty acyl - Monosaccharide - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary alcohol - 1,2-diol - Carboxylic acid ester - Lactone - Polyol - Acetal - Organoheterocyclic compound - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Carbonyl group - 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