Compound Identification
SMILES
C[C@@H](NC(=O)OC(C)(C)C)C(=O)C(C(O)=O)C1=CC=C(O)C=C1
InChIKey
InChIKey=RBTKVEHWMOPRSE-PKEIRNPWSA-N
Formula
C16H21NO6
Mass
323.345
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Keto acids and derivatives
- Subclass Beta-keto acids and derivatives
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Class
Keto acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Keto acids and derivatives
Subclass
Beta-keto acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta-keto acids and derivatives
Alternative Parents
1-hydroxy-2-unsubstituted benzenoids Beta-hydroxy ketones Benzene and substituted derivatives 1,3-dicarbonyl compounds Carbamate esters Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
1-hydroxy-2-unsubstituted benzenoid - Beta-keto acid - Phenol - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - 1,3-dicarbonyl compound - Carbamic acid ester - Ketone - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
External Descriptors
Not available