DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:40 UTC
Update Date	2025-03-25 00:51:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189180
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₂N₂O₄
Molecular Mass	294.158
SMILES	CC(C)CC(N)C(=O)NC(Cc1ccccc1)C(=O)OO
InChI Key	HPQBHEPEYFKCRE-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines n-acyl-alpha amino acids organic hydroperoxides organic oxides organonitrogen compounds organopnictogen compounds peroxols peroxycarboxylic acids and derivatives phenylalanine and derivatives secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide hydroperoxide alpha-amino acid or derivatives alpha peptide organic oxide leucine or derivatives organonitrogen compound peroxycarboxylic acid or derivatives alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group n-acyl-amine peroxol aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

Showing information for DMID02189180