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Structure Information
Structure

Compound Identification

SMILES

CCCSC1=NN=C(SCC2=CC(=O)OC3=CC(O)=C(CC)C=C23)S1

InChIKey

InChIKey=QJRKRPROKBBCAJ-UHFFFAOYSA-N

Formula

C17H18N2O3S3

Mass

394.52

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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 - Aryl thioether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Alkylarylthioether - Pyran - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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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