Structure Information
Structure

Compound Identification

SMILES

CC(NCC1=C(O)C=CC2=C1OC(=O)C=C2)C(O)=O

InChIKey

InChIKey=MUJGCPFWXPVGGO-UHFFFAOYSA-N

Formula

C13H13NO5

Mass

263.249

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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 - Alanine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Amino acid or derivatives - Amino acid - Lactone - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Oxacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Amine - Organic oxide - Organonitrogen compound - Organooxygen 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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