Structure Information
Structure

Compound Identification

SMILES

O[C@@H]1[C@H](OC2=CC(OCC3=CC=CC=C3)=CC(OCC3=CC=CC=C3)=C2[13C@@H]1O)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=QBYDZRUSARFBQM-PPODRDJISA-N

Formula

C43H38O7

Mass

667.762

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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 - Leucoanthocyanidin-skeleton - 3-hydroxyflavonoid - 4-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Phenol ether - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen 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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