Structure Information
Structure

Compound Identification

SMILES

OC1=C(OCC2=CC=CC=C2)C(C(=O)C(F)(F)F)=C2O[C@@H]([C@H](CC2=C1OCC1=CC=CC=C1)OCC1=CC=CC=C1)C1=CC(OCC2=CC=CC=C2)=C(OCC2=CC=CC=C2)C=C1

InChIKey

InChIKey=XXRLAIGUFLZEPV-BTOMMIQVSA-N

Formula

C52H43F3O8

Mass

852.903

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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 - 6-hydroxyflavonoid - Hydroxyflavonoid - Chromane - Benzopyran - 1-benzopyran - Benzylether - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Ketone - Organoheterocyclic compound - Oxacycle - Ether - Dialkyl ether - Alkyl halide - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organooxygen compound - Alkyl fluoride - 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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