Compound Identification
SMILES
Br.C[N+]1([O-])[C@H]2CC(C[C@H]1[C@@H]1O[C@H]21)OC(=O)C(CO)C1=CC=CC=C1
InChIKey
InChIKey=MGNNYKWRWHQLCR-CKVXIWHYSA-N
Formula
C17H22BrNO5
Mass
400.269
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
-
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
Benzene and substituted derivatives Piperidines Morpholines N-alkylpyrrolidines Trialkyl amine oxides Carboxylic acid esters Azacyclic compounds Trisubstituted amine oxides and derivatives Dialkyl ethers Epoxides Monocarboxylic acids and derivatives Oxacyclic compounds Hydrobromides Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organopnictogen compounds Organic oxides Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-hydroxy acid - Monocyclic benzene moiety - Morpholine - Oxazinane - Piperidine - N-alkylpyrrolidine - Benzenoid - Trialkyl amine oxide - Pyrrolidine - Carboxylic acid ester - N-oxide - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Trisubstituted n-oxide - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organopnictogen compound - Hydrobromide - Organic zwitterion - Organic nitrogen compound - 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