DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:52 UTC
Update Date	2025-03-25 00:51:50 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189638
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₄NO₂+
Molecular Mass	250.1802
SMILES	CC(C)OC(=O)C(Cc1ccccc1)[N+](C)(C)C
InChI Key	NXCJJNDJRCGEAP-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	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids amines amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acid esters fatty acid esters hydrocarbon derivatives monocarboxylic acids and derivatives organic cations organic oxides organic salts organopnictogen compounds tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic salt amphetamine or derivatives tetraalkylammonium salt alpha-amino acid ester quaternary ammonium salt aromatic homomonocyclic compound fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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