Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCC(N)=O)C(=O)OC2=C1C=CC(O)=C2

InChIKey

InChIKey=KXDRYBNDWROSKU-UHFFFAOYSA-N

Formula

C13H13NO4

Mass

247.25

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

7-hydroxycoumarins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-hydroxycoumarin - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Fatty amide - Pyran - Benzenoid - Fatty acyl - Heteroaromatic compound - Primary carboxylic acid amide - Lactone - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-hydroxycoumarins. These are coumarins that contain one or more hydroxyl groups attached to the C7 position the coumarin skeleton.

External Descriptors

Not available

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