Compound Identification
SMILES
[H]OC([H])([H])C([H])(C(=O)OC1([H])C([H])([H])[C@@]2([H])[C@]3([H])O[C@]3([H])[C@@]([H])(C1([H])[H])[N+]2([O-])C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1[H]
InChIKey
InChIKey=GSYQNAMOFFWAPF-DWTHWMAXSA-N
Formula
C17H21NO5
Mass
319.357
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 N-alkylpyrrolidines Morpholines Benzene and substituted derivatives Trialkyl amine oxides Carboxylic acid esters Trisubstituted amine oxides and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Epoxides Dialkyl ethers Azacyclic compounds Primary alcohols Organopnictogen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta-hydroxy acid - Benzenoid - N-alkylpyrrolidine - Piperidine - Oxazinane - Morpholine - Monocyclic benzene moiety - Trialkyl amine oxide - Pyrrolidine - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Trisubstituted n-oxide - Monocarboxylic acid or derivatives - Ether - Oxirane - Dialkyl ether - Carboxylic acid derivative - N-oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Primary alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - 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