Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C(C=C1)[C@H]1OC2=CC(OC)=C([C@H](O)[C@@H]3OC(=O)C4=CC(OC)=C(OC)C(OC)=C4C4=C(OC)C(OC)=C(OC)C=C4C(=O)O[C@H]3[C@@H]3OC(=O)C4=CC(OC)=C(OC)C(OC)=C4C4=C(OC)C(OC)=C(OC)C=C4C(=O)OC[C@H]3O)C(OC)=C2C[C@H]1O

InChIKey

InChIKey=MCYFXUCQIDFSRF-CFICRNSGSA-N

Formula

C65H70O28

Mass

1299.247

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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 - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 7-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Gallic acid or derivatives - O-dimethoxybenzene - Dimethoxybenzene - 1-benzopyran - Benzopyran - Chromane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Secondary alcohol - Lactone - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxide - Aromatic alcohol - Organic oxygen compound - 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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