Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C([C@H]2[C@@H](O)[C@H](OC3=CC(O)=CC(O)=C23)C2=CC(O)=C(O)C=C2)C(OC)=C1

InChIKey

InChIKey=OHAKBDIONGFIDJ-RBZQAINGSA-N

Formula

C24H24O9

Mass

456.447

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Flavan-3-ols

Direct Parent

Catechins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Catechin - Hydroxyflavonoid - 7-hydroxyflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - 1-benzopyran - Chromane - Benzopyran - Anisole - Phenol ether - Catechol - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as catechins. These are compounds containing a catechin moiety, which is a 3,4-dihydro-2-chromene-3,5.7-tiol.

External Descriptors

Not available

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