DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:18 UTC
Update Date	2025-03-21 17:58:21 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013850
Frequency	320.9
Structure
Chemical Formula	C₁₅H₂₀N₂O₃
Molecular Mass	276.1474
SMILES	COC(=O)C(Cc1ccccc1)NC(=O)C1CCCN1
InChI Key	VCZANKJSRYTJDN-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	peptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds dialkylamines fatty acid esters hydrocarbon derivatives methyl esters monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylalanine and derivatives proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group aromatic heteromonocyclic compound amino acid or derivatives alpha-amino acid or derivatives alpha peptide organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives secondary aliphatic amine alpha-amino acid amide alpha-amino acid ester azacycle n-acyl-alpha-amino acid secondary amine carboxamide group secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound amine

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