DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:55 UTC
Update Date	2025-03-21 18:28:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00073958
Frequency	48.4
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	CC(C)CC(NC(=O)c1ccc(N)cc1)C(=O)O
InChI Key	FHWQAAFNVCSUAZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl benzamide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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