Structure Information
Structure

Compound Identification

SMILES

COC1=C2C3C(=O)O[C@@H]([C@H]4C5=C6O[C@@H]([C@H](O)CC6=C(OC)C=C5OC34C1=O)C1=CC(OC)=C(OC)C=C1)[C@@H](OC(=O)C1=CC(OC)=C(OC)C(OC)=C21)[C@H]1OC(=O)C2=CC(OC)=C(OC)C(OC)=C2C2=C(OC)C(OC)=C(OC)C=C2C(=O)OC[C@@H]1OC(=O)C1=CC(OC)=C(OC)C(OC)=C1

InChIKey

InChIKey=AJMXCUSJXKXXCH-ZZCIMLPLSA-N

Formula

C71H70O30

Mass

1403.311

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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 - 3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - 5-methoxyflavonoid-skeleton - 3-hydroxyflavonoid - Flavan-3-ol - Hydroxyflavonoid - Flavan - Flavonoid - Gallic acid or derivatives - P-methoxybenzoic acid or derivatives - M-methoxybenzoic acid or derivatives - Dimethoxybenzene - Benzoate ester - 1-benzopyran - Chromane - Benzopyran - O-dimethoxybenzene - Coumaran - Benzoic acid or derivatives - Anisole - Phenol ether - Benzoyl - Methoxybenzene - Phenoxy compound - Delta_valerolactone - Delta valerolactone - Alkyl aryl ether - Oxane - Monocyclic benzene moiety - Benzenoid - Ketone - Carboxylic acid ester - Secondary alcohol - Lactone - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - 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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