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Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=DNPXHTCODPVOBJ-LDXVYITESA-N

Formula

C15H14KO21S5

Mass

729.65

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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 - Phenylsulfate - Arylsulfate - Chromane - Benzopyran - 1-benzopyran - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Oxacycle - Organic alkali metal salt - Ether - Organoheterocyclic compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen 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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