Structure Information
Structure

Compound Identification

SMILES

OC(=O)CN(CC(O)=O)C1=CC2=C(C=C1)C(COC(=O)OC1=CC=CC=C1)=CC(=O)O2

InChIKey

InChIKey=BPMHAVQLNIQHTK-UHFFFAOYSA-N

Formula

C21H17NO9

Mass

427.365

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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 - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - Phenoxy compound - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Pyranone - Dicarboxylic acid or derivatives - Carbonic acid diester - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Carbonic acid derivative - Tertiary amine - Lactone - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - 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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