Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CC2=C(O[C@H]1C1=CC(O)=C(O)C(O)=C1)C1=C(O[C@]34C5C(C(=O)C3=O)C3=C(C=C(O)C(O)=C3O)C(=O)O[C@H]([C@@H](OC5=O)[C@@H]14)[C@@H]1OC(=O)C3=CC(O)=C(O)C(O)=C3C3=C(C=C(OC4=C(C=C(O)C(O)=C4O)C(O)=O)C(O)=C3O)C(=O)OC[C@H]1OC(=O)C1=CC(O)=C(O)C(O)=C1)C=C2O

InChIKey

InChIKey=XEDDHMSDLGFNES-UWKOSNKFSA-N

Formula

C62H42O36

Mass

1362.982

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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 - Epigallocatechin - Catechin - 8-prenylated flavan - Hexacarboxylic acid or derivatives - Hydroxyflavonoid - Flavan-3-ol - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Flavan - Galloyl ester - Gallic acid - Gallic acid or derivatives - P-hydroxybenzoic acid alkyl ester - M-hydroxybenzoic acid ester - P-hydroxybenzoic acid ester - Dihydroxybenzoic acid - Diaryl ether - 1-benzopyran - Hydroxybenzoic acid - Benzopyran - Chromane - Benzoate ester - Coumaran - Pyrogallol derivative - Benzoic acid - Benzoic acid or derivatives - Benzenetriol - Phenoxy compound - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Benzenoid - Oxane - Monocyclic benzene moiety - Secondary alcohol - Lactone - Ketone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Alcohol - 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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