Structure Information
Structure

Compound Identification

SMILES

CC1=C(O)C=CC2=C1OC(=O)C=C2COC(=O)\C=C\C1=NC2=CC=CC=C2S1

InChIKey

InChIKey=IVEZJKWKACQIQB-CMDGGOBGSA-N

Formula

C21H15NO5S

Mass

393.41

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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 - 1,3-benzothiazole - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Pyranone - Pyran - Benzenoid - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiazole - Azole - Heteroaromatic compound - Lactone - Carboxylic acid ester - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - 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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