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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
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Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
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
Piperidines Benzene and substituted derivatives N-alkylpyrrolidines Morpholines Trialkylamines Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Epoxides Halomethanes Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Primary alcohols Alkyl bromides
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