Structure Information
Structure

Compound Identification

SMILES

OC1Cc2c(OC1c1ccc(O)c(O)c1)c1C(C(O)C(Oc1c1C(C(O)C(Oc21)c1ccc(O)c(O)c1)c1ccc(O)cc1O)c1ccc(O)c(O)c1)c1ccc(O)cc1O

InChIKey

InChIKey=UIKHFIDWMMHDLH-UHFFFAOYSA-N

Formula

C45H38O16

Mass

834.783

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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 - Linear 1,7-diphenylheptane skeleton - Pyranoneoflavonoid - 3'-hydroxyflavonoid - 3-hydroxyflavonoid - 4'-hydroxyflavonoid - Hydroxyflavonoid - Neoflavan - Neoflavonoid skeleton - Pyranochromene - Chromane - Benzopyran - 1-benzopyran - Resorcinol - Catechol - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Monocyclic benzene moiety - Secondary alcohol - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organic oxygen compound - Organooxygen compound - Alcohol - Hydrocarbon derivative - 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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