Compound Identification
SMILES
COC(Cl)=O.CCOC(=O)C(CC)(CO)CC1=CN=C(NC(=O)OC(C)(C)C)C=C1
InChIKey
InChIKey=LUTRDPJJSVGAIK-UHFFFAOYSA-N
Formula
C20H31ClN2O7
Mass
446.93
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
Fatty acid esters Pyridines and derivatives Imidolactams Heteroaromatic compounds Carbamate esters Organic carbonic acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Primary alcohols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Beta-hydroxy acid - Fatty acid ester - Pyridine - Imidolactam - Fatty acyl - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Carbonic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Aromatic heteromonocyclic 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