Structure Information
Structure

Compound Identification

SMILES

COC1=CC(=CC(OC)=C1O)C(=O)O[C@@H]1[C@@H](O)[C@H](C)O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(O)=CC(O)=C4C3=O)C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]1O

InChIKey

InChIKey=LOMRWTBYEBGQIJ-HGKZGIPSSA-N

Formula

C36H38O20

Mass

790.68

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Tannins

Subclass

Complex tannins

Intermediate Tree Nodes

Not available

Direct Parent

Complex tannins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Complex tannin - Flavonoid-3-o-glycoside - Flavonoid o-glycoside - Hydroxyflavonoid - 3'-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavone - 7-hydroxyflavonoid - Gallic acid or derivatives - Disaccharide - P-hydroxybenzoic acid ester - Glycosyl compound - P-hydroxybenzoic acid alkyl ester - M-methoxybenzoic acid or derivatives - O-glycosyl compound - Chromone - Benzopyran - Benzoate ester - M-dimethoxybenzene - Dimethoxybenzene - Methoxyphenol - 1-benzopyran - Benzoic acid or derivatives - Phenol ether - Anisole - Benzoyl - Methoxybenzene - Phenoxy compound - Catechol - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Monocyclic benzene moiety - Pyran - Benzenoid - Oxane - Heteroaromatic compound - Vinylogous acid - Secondary alcohol - Carboxylic acid ester - Oxacycle - Acetal - Organoheterocyclic compound - Polyol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as complex tannins. These are tannins made of a catechin bound to a gallotannin or elagitannin.

External Descriptors

Not available

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