Structure Information
Structure

Compound Identification

SMILES

OC[C@H](NCC1=C(O)C=CC2=C1OC(=O)C(Br)=C2)C(O)=O

InChIKey

InChIKey=QXLMVBJVJVUNMI-VIFPVBQESA-N

Formula

C13H12BrNO6

Mass

358.144

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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 - Serine or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - L-alpha-amino acid - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Phenol - Pyranone - Aralkylamine - Benzenoid - Pyran - Aryl bromide - Aryl halide - Hydroxy acid - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Lactone - Secondary amine - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Carbonyl group - Alcohol - Organic oxide - Organic nitrogen compound - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - 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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