DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:24 UTC
Update Date	2025-03-21 18:28:59 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00075088
Frequency	39.4
Structure
Chemical Formula	C₁₅H₂₂N₂O₃
Molecular Mass	278.163
SMILES	CC(C)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O
InChI Key	VOGRQNIUQFNVQS-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	aspartic acid 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 hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alpha-amino acid amide carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound aspartic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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