Structure Information
Structure

Compound Identification

SMILES

CBr.CN1C2CC(CC1C1OC21)OC(=O)[C@H](CO)C1=CC=CC=C1

InChIKey

InChIKey=XKUKXPQHAGZXHC-VTEZLSFDSA-N

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

Not available

Substituents

Beta-hydroxy acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Alkyl bromide - Halomethane - Alcohol - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Organic oxide - 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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