Compound Identification
SMILES
OC1OC2COC(=O)C3=CC(O)=C(O)C4=C3C3=C(OC5=C(O)C(O)=C(O)C=C5C(=O)OC2C2OC(=O)C5=CC(O)=C(O)C(O)=C5C5=C(O)C(O)=C(O)C=C5C(=O)OC12)C(O)=C(O)C=C3C(=O)O4
InChIKey
InChIKey=CRBXXKOLQPIQBF-UHFFFAOYSA-N
Formula
C41H26O26
Mass
934.633
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
Tetracarboxylic acids and derivatives 7,8-dihydroxycoumarins Gallic acid and derivatives Isocoumarins and derivatives Diarylethers 1-benzopyrans 2-benzopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Monosaccharides Heteroaromatic compounds Lactones Hemiacetals Carboxylic acid esters Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - 7,8-dihydroxycoumarin - Tetracarboxylic acid or derivatives - Gallic acid or derivatives - Coumarin - Diaryl ether - Dihydroxybenzoic acid - Isocoumarin - Benzopyran - 2-benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Monosaccharide - Oxane - Heteroaromatic compound - Lactone - Hemiacetal - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Ether - Carboxylic acid derivative - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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