Structure Information
Structure

Compound Identification

SMILES

CC1=C(CC(=O)ON2C(=O)CCC2=O)C(=O)OC2=CC(N)=C(SOOO)C=C12

InChIKey

InChIKey=SXBNUGAJHJAOOC-UHFFFAOYSA-N

Formula

C16H14N2O9S

Mass

410.35

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Coumarins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Pyrrolidone - 2-pyrrolidone - Benzenoid - Heteroaromatic compound - Pyrrolidine - Dicarboximide - Amino acid or derivatives - Lactam - Lactone - Oxacycle - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).

External Descriptors

Not available

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