Structure Information
Structure

Compound Identification

SMILES

CC1=C(Br)C(=O)OC2=C1C=CC(O)=C2CN[C@@H](CO)C(O)=O

InChIKey

InChIKey=ZVHXWZIETYTPJI-VIFPVBQESA-N

Formula

C14H14BrNO6

Mass

372.171

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