DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:40:15 UTC
Update Date	2025-03-25 00:46:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02156370
Frequency	0.5
Structure
Chemical Formula	C₁₄H₂₀NO₂+
Molecular Mass	234.1489
SMILES	C[N+]1(C)CCC(c2ccccc2)CC1C(=O)O
InChI Key	IDCJZKCKVUAWRY-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	piperidines
Subclass	phenylpiperidines
Direct Parent	phenylpiperidines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amines azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds piperidinecarboxylic acids tetraalkylammonium salts
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound alpha-amino acid or derivatives carboxylic acid derivative organic oxide alpha-amino acid organonitrogen compound organopnictogen compound piperidinecarboxylic acid organic cation organic salt tetraalkylammonium salt azacycle quaternary ammonium salt monocarboxylic acid or derivatives organic oxygen compound phenylpiperidine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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