DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:15:29 UTC
Update Date	2025-03-21 18:34:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00099251
Frequency	27.7
Structure
Chemical Formula	C₁₄H₂₀N₂O₃
Molecular Mass	264.1474
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)CCCN
InChI Key	YMPFARPYFOGNQV-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds fatty acid esters gamma amino acids and derivatives hydrocarbon derivatives methyl esters monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group gamma amino acid or derivatives fatty amide organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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