Structure Information
Structure

Compound Identification

SMILES

COC1=CC(OC)=C([C@@H]2[C@H](O)[C@H](OC3=CC(OCC4=CC=CC=C4)=CC(OCC4=CC=CC=C4)=C23)C2=CC(OCC3=CC=CC=C3)=C(OCC3=CC=CC=C3)C=C2)C(OC)=C1

InChIKey

InChIKey=CHSKWOQMEHIXKW-LIFCFFGOSA-N

Formula

C52H48O9

Mass

816.947

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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 - 3-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Methoxybenzene - Phenoxy compound - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Oxacycle - Ether - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Alcohol - 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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