Compound Identification
SMILES
OC1=C(O)C(OCC2=CC=CC=C2)=CC(=C1)C(=O)O[C@@H]1O[C@H](COC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C2)[C@@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C2)[C@H](OC(=O)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C(OCC3=CC=CC=C3)=C2)[C@H]1OC(=O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C(OCC2=CC=CC=C2)=C1
InChIKey
InChIKey=CYYBOWFSBYFBCE-IVNCISQQSA-N
Formula
C132H110O26
Mass
2112.306
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Tannins
- Subclass Hydrolyzable tannins
-
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
Pentacarboxylic acids and derivatives Gallic acid and derivatives p-Hydroxybenzoic acid alkyl esters m-Hydroxybenzoic acid esters Benzoyl derivatives Catechols Phenoxy compounds Phenol ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Monosaccharides Oxanes Carboxylic acid esters Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Pentacarboxylic acid or derivatives - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Benzoate ester - Benzoic acid or derivatives - Phenoxy compound - Catechol - Benzoyl - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Oxane - Benzenoid - Monosaccharide - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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