Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1CC2=C(OC1=O)C=CC(F)=C2

InChIKey

InChIKey=FIEUJPYQDNJGSY-UHFFFAOYSA-N

Formula

C12H11FO4

Mass

238.214

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

3,4-dihydrocoumarins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

3,4-dihydrocoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.

External Descriptors

Not available

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