Compound Identification
SMILES
COC1=CC(=CC(OC)=C1O)C(=O)OCC1(O)CO[C@@H](OC2[C@H](OCCC3=CC=C(O)C(O)=C3)OC(CO)[C@@H](O)C2O[C@@H]2OC(C)[C@H](O)C(O)C2O)C1O
InChIKey
InChIKey=CQFMTQVLSYLJHR-RTLGNZNTSA-N
Formula
C34H46O20
Mass
774.722
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
Oligosaccharides Gallic acid and derivatives p-Hydroxybenzoic acid alkyl esters M-methoxybenzoic acids and derivatives O-glycosyl compounds Tyrosols and derivatives Dimethoxybenzenes Methoxyphenols Phenoxy compounds Catechols Anisoles Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Oxanes Tertiary alcohols Oxolanes Secondary alcohols Carboxylic acid esters Oxacyclic compounds Polyols Acetals Monocarboxylic acids and derivatives Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Oligosaccharide - Hydrolyzable tannin - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Glycosyl compound - M-methoxybenzoic acid or derivatives - O-glycosyl compound - Benzoate ester - Methoxyphenol - M-dimethoxybenzene - Dimethoxybenzene - Tyrosol derivative - Benzoic acid or derivatives - Anisole - Phenoxy compound - Benzoyl - Catechol - Methoxybenzene - Phenol ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Oxane - Benzenoid - Oxolane - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Acetal - Ether - Primary alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Alcohol - 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