DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:47 UTC
Update Date	2025-03-25 00:49:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02175685
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₂
Molecular Mass	222.1368
SMILES	NC(CC(=O)NCCO)Cc1ccccc1
InChI Key	HLKXFXRTGZTLFP-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alcohols and polyols alkanolamines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acylethanolamines organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides
Substituents	alcohol fatty acyl monocyclic benzene moiety carbonyl group fatty amide carboxamide group n-acylethanolamine n-acyl-amine beta amino acid or derivatives aromatic homomonocyclic compound secondary carboxylic acid amide organic oxide organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound amphetamine or derivatives alkanolamine

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