Structure Information
Structure

Compound Identification

SMILES

[Na].NC(CO)(CO)CO.NC1=C(C=C2C3=C(CCC3C(CC(O)=O)S(O)(=O)=O)C(=O)OC2=C1S(O)(=O)=O)S(O)(=O)=O

InChIKey

InChIKey=OPKLDDGTJSXSTR-UHFFFAOYSA-N

Formula

C19H26N2NaO16S3

Mass

657.58

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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

Not available

Substituents

Coumarin - Benzopyran - 1-benzopyran - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Pyranone - Thia fatty acid - Pyran - Benzenoid - Fatty acyl - Alkanesulfonic acid - Heteroaromatic compound - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - 1,2-aminoalcohol - Amino acid - Amino acid or derivatives - Lactone - Organic alkali metal salt - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Primary aliphatic amine - Organooxygen compound - Organic oxide - Organosulfur compound - Primary alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Primary amine - Hydrocarbon derivative - Amine - 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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