DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:40 UTC
Update Date	2025-03-25 00:53:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02200527
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₂O₂+
Molecular Mass	263.1754
SMILES	COc1ccc(NC(=O)C2CCCC[N+]2(C)C)cc1
InChI Key	AKCXMJQHUDXTAW-UHFFFAOYSA-O
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 heteromonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids amines anilides anisoles azacyclic compounds carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives methoxybenzenes n-arylamides organic cations organic oxides organic salts organopnictogen compounds phenoxy compounds piperidinecarboxamides piperidines secondary carboxylic acid amides tetraalkylammonium salts
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound n-arylamide alkyl aryl ether organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt piperidine organoheterocyclic compound alpha-amino acid amide tetraalkylammonium salt azacycle piperidinecarboxamide quaternary ammonium salt carboxamide group methoxybenzene anilide secondary carboxylic acid amide organic oxygen compound anisole hydrocarbon derivative benzenoid organic nitrogen compound phenoxy compound amine 2-piperidinecarboxamide organooxygen compound

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