DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:10:48 UTC
Update Date	2025-03-21 18:31:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00087955
Frequency	32.3
Structure
Chemical Formula	C₁₄H₁₇NO₅
Molecular Mass	279.1107
SMILES	CC(C)CC(NC(=O)c1ccccc1C(=O)O)C(=O)O
InChI Key	VKGNLIVJYDSALI-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-carboxy-2-haloaromatic compounds alpha amino acids benzoic acids benzoyl derivatives carbonyl compounds dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon 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 benzamide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid 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 organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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