Compound Identification
SMILES
OC[C@@H]1OC(=O)C2=CC(OC3=C(O)C(O)=C(O)C=C3C(O)=O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)O[C@H]1[C@@H]1OC(=O)C2=CC(O)=C(O)C(O)=C2C2=C(O)C(O)=C(O)C=C2C(=O)OC[C@H]1O
InChIKey
InChIKey=FDCGWKWKAUDKAT-OJZFVGOZSA-N
Formula
C41H30O27
Mass
954.664
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
Gallic acids Diarylethers Pyrogallols and derivatives Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Secondary alcohols Carboxylic acid esters Lactones Carboxylic acids Oxacyclic compounds Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hydrolyzable tannin - Gallic acid or derivatives - Gallic acid - Dihydroxybenzoic acid - Diaryl ether - Hydroxybenzoic acid - Pyrogallol derivative - Benzenetriol - Benzoic acid or derivatives - Benzoic acid - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Secondary alcohol - Lactone - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Polyol - Primary alcohol - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen 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) 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