Structure Information
Structure

Compound Identification

SMILES

[O-][Cl](=O)(=O)=O.CCN(CC)C1=CC2=C(C=C1)C(C1=CC=CC=C1C(O)=O)=C1C(=O)OC3=CC(C=CC3=C1O2)=[N+](CC)CC

InChIKey

InChIKey=FHSKRPUTBKIJJS-UHFFFAOYSA-N

Formula

C31H31ClN2O9

Mass

611.04

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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 - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoic acid - Tertiary aliphatic/aromatic amine - Benzoyl - Dialkylarylamine - Pyranone - Monocyclic benzene moiety - Benzenoid - Organic perchlorate - Pyran - Organic perchlorate salt - Secondary ketimine - Heteroaromatic compound - Organic chlorate - Lactone - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic salt - Organooxygen compound - Organonitrogen compound - Organic cation - 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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