DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:14 UTC
Update Date	2025-03-21 18:39:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00127620
Frequency	25.1
Structure
Chemical Formula	C₁₃H₁₇NO₄
Molecular Mass	251.1158
SMILES	CC(C)CC(NC(=O)c1cccc(O)c1)C(=O)O
InChI Key	KWDVBKTZHFCTMS-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	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha 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 organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid 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 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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