Structure Information
Structure

Compound Identification

SMILES

O[C@H]1CC2=C(O)C=C3OC45[C@@H](C6OC(=O)C4C(=C(O)C5=O)C4=C(O)C(O)=C(O)C5=C4C(=O)OC6C4OC(=O)C6=CC(O)=C(O)C(O)=C6C6=C(O)C(O)=C(O)C=C6C(=O)OCC4OC(=O)C4=CC(O)=C(O)C(O)=C54)C3=C2O[C@@H]1C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=GCVPUYDXNUQSNY-XJFXALPKSA-N

Formula

C55H36O30

Mass

1176.863

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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 - Catechin - 8-prenylated flavan - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Flavonoid - Gallic acid or derivatives - 1-benzopyran - Chromane - Benzopyran - Coumaran - Catechol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Delta valerolactone - 1-hydroxy-4-unsubstituted benzenoid - Delta_valerolactone - Benzenoid - Oxane - Monocyclic benzene moiety - Lactone - Ketone - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Oxacycle - Ether - Enol - Carboxylic acid derivative - Organoheterocyclic compound - Polyol - Alcohol - Organooxygen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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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