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Structure Information
Structure

Compound Identification

SMILES

OC1=CC2=C(C=C1)C(CSC1=NNC(=O)N1C[C@@H]1CCCO1)=CC(=O)O2

InChIKey

InChIKey=KWDFBBLHPSFILC-LBPRGKRZSA-N

Formula

C17H17N3O5S

Mass

375.4

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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 - Benzenoid - Pyran - Azole - Heteroaromatic compound - Oxolane - 1,2,4-triazole - Lactone - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - 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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