DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:19:01 UTC
Update Date	2025-03-25 01:00:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02244795
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₃O
Molecular Mass	217.1215
SMILES	CN(C)CC(=O)Nc1cccc2cc[nH]c12
InChI Key	AXZXNMWYQPEDDS-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	alpha amino acid amides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acids azacyclic compounds benzenoids carbonyl compounds carboxylic acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles n-arylamides organic oxides organopnictogen compounds pyrroles secondary carboxylic acid amides trialkylamines
Substituents	carbonyl group indole n-arylamide organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine organoheterocyclic compound alpha-amino acid amide azacycle heteroaromatic compound tertiary aliphatic amine indole or derivatives carboxamide group secondary carboxylic acid amide organic oxygen compound pyrrole hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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