Structure Information
Structure

Compound Identification

SMILES

[K+].[O-]S(=O)(=O)O[13C]1=[13CH][13C]2=[13C](C=CC(=O)O2)[13CH]=[13CH]1

InChIKey

InChIKey=SVUZPRLQAASRKC-CVLAVSJCSA-M

Formula

C9H5KO6S

Mass

286.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - Arylsulfate - 1-benzopyran - Pyranone - Pyran - Sulfuric acid monoester - Sulfate-ester - Benzenoid - Sulfuric acid ester - Heteroaromatic compound - Organic sulfuric acid or derivatives - Lactone - Oxacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic potassium salt - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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