DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:40 UTC
Update Date	2025-03-21 18:40:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128673
Frequency	19.8
Structure
Chemical Formula	C₁₅H₂₁NO₃
Molecular Mass	263.1521
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)CC(C)C
InChI Key	ISJVRGWTEXYFJC-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 hydrocarbon derivatives methyl esters 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 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 organic nitrogen compound organooxygen compound

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