Structure Information
Structure

Compound Identification

SMILES

OC1CC2=C(OC1C1=CC(=O)C3(O)OC11OC4CC5=C(OC4C4=CC(O)=C(O)C3=C14)C=C(O)C=C5O)C=C(O)C=C2O

InChIKey

InChIKey=YTYXPCWJXBICMN-UHFFFAOYSA-N

Formula

C29H22O13

Mass

578.482

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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 - Pyranoflavonoid - Diterpenoid - Benzotropolone - 2-benzopyran - 1-benzopyran - Isochromane - Benzopyran - Chromane - Isocoumaran - Furopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Ketal - Dihydropyranone - Alkyl aryl ether - Benzenoid - Pyran - Oxane - Hemiketal - Acyloin - Alpha,beta-unsaturated ketone - Furan - Enone - Dihydrofuran - Alpha-hydroxy ketone - Acryloyl-group - Secondary alcohol - Ketone - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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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