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
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
Benzene and substituted derivatives Piperidines Morpholines N-alkylpyrrolidines Tetraalkylammonium salts Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Organic oxides Organic bromide salts Organopnictogen compounds Hydrocarbon derivatives Amines Carbonyl compounds Primary alcohols Organic zwitterions
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