DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:06:32 UTC
Update Date	2025-03-21 18:29:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00077863
Frequency	37.6
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	NC(Cc1ccccc1)C(=O)NCCCC(=O)O
InChI Key	DKRKIWWAYIVOBI-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	peptidomimetics
Subclass	hybrid peptides
Direct Parent	hybrid peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides gamma amino acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid gamma amino acid or derivatives fatty amide alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hybrid peptide hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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