Compound Identification
SMILES
CO[C@H]1O[C@H](COCC2=CC=CC=C2)[C@@H](OCC2=CC=CC=C2)[C@H](OC(=O)C2=CC(OC)=C(OC)C(OC)=C2)[C@@H]1OC(=O)C1=CC(OC)=C(OC)C(OC)=C1
InChIKey
InChIKey=FXPGATOGQQLVGS-PGQRENLTSA-N
Formula
C41H46O14
Mass
762.805
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
Gallic acid and derivatives P-methoxybenzoic acids and derivatives O-glycosyl compounds M-methoxybenzoic acids and derivatives Benzoic acid esters Benzylethers Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Oxanes Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid esters Dialkyl ethers Acetals Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydrolyzable tannin - Gallic acid or derivatives - Glycosyl compound - M-methoxybenzoic acid or derivatives - O-glycosyl compound - P-methoxybenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzylether - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Benzoyl - Alkyl aryl ether - Benzenoid - Oxane - Monosaccharide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Acetal - Ether - Carboxylic acid derivative - Dialkyl ether - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen 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