Structure Information
Structure

Compound Identification

SMILES

C(SOSCC1=CC=CC=C1)C1=CC=CC=C1.OC1CC2=C(O)C=C(O)C=C2OC1C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=RXTGQDOASRHBMC-UHFFFAOYSA-N

Formula

C29H28O7S2

Mass

552.66

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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

Not available

Substituents

Catechin - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - 5-hydroxyflavonoid - 7-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Secondary alcohol - Sulfenyl compound - Polyol - Oxacycle - Ether - Organoheterocyclic compound - Alcohol - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - 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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