DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:31:21 UTC
Update Date	2025-03-21 18:41:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00137136
Frequency	18.2
Structure
Chemical Formula	C₁₆H₂₆N₂O₂
Molecular Mass	278.1994
SMILES	CCC(C)C(N)C(=O)NC(Cc1ccccc1)C(C)O
InChI Key	JDRNCKULPHUZOU-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	isoleucine and derivatives
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 and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound isoleucine or derivatives amphetamine or derivatives alcohol alpha-amino acid amide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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