DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:11 UTC
Update Date	2025-03-21 18:41:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00134453
Frequency	18.7
Structure
Chemical Formula	C₁₃H₁₈N₂O₄
Molecular Mass	266.1267
SMILES	CC(C)CC(NC(=O)c1cccc(O)c1N)C(=O)O
InChI Key	ZFTSYHFAILYJHX-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 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 vinylogous amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino 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 vinylogous amide 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 primary amine organic nitrogen compound amine organooxygen compound

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