Structure Information
Structure

Compound Identification

SMILES

COC1=CC(O)=C(C=O)C=C1.COC1=CC(O)=C(C=C1)C(C)=O.O[C@@H]1CC2=C(O)C=C(O)C=C2O[C@@H]1C1=CC(O)=C(O)C=C1

InChIKey

InChIKey=JHUVLIFJPIUMGA-FVAFFMJJSA-N

Formula

C32H32O12

Mass

608.596

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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 - Hydroxyflavonoid - 7-hydroxyflavonoid - 5-hydroxyflavonoid - 4'-hydroxyflavonoid - 3-hydroxyflavonoid - 3'-hydroxyflavonoid - Alkyl-phenylketone - Benzopyran - Chromane - Methoxyphenol - 1-benzopyran - Hydroxybenzaldehyde - Phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Methoxybenzene - Catechol - Anisole - Benzaldehyde - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ketone - Secondary alcohol - Oxacycle - Organoheterocyclic compound - Polyol - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Aldehyde - Organooxygen compound - 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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