Structure Information
Structure

Compound Identification

SMILES

[Br-].C[N+]1(C)[C@H]2CC(C[C@H]1C1OC21)OC(=O)C(CO)C1=CC=CC=C1

InChIKey

InChIKey=CXYRUNPLKGGUJF-HWGVKNJBSA-M

Formula

C18H24BrNO4

Mass

398.297

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic acids and derivatives

Class

Hydroxy acids and derivatives

Subclass

Beta hydroxy acids and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Beta hydroxy acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Beta-hydroxy acid - Monocyclic benzene moiety - Oxazinane - Piperidine - Morpholine - N-alkylpyrrolidine - Benzenoid - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Carboxylic acid ester - Ether - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxirane - Azacycle - Oxacycle - Dialkyl ether - Carboxylic acid derivative - Alcohol - Organooxygen compound - Organonitrogen compound - Primary alcohol - Organic zwitterion - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.

External Descriptors

Not available

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