DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:09 UTC
Update Date	2025-03-25 00:47:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02162763
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₄N₂O₃
Molecular Mass	352.1787
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(N2CCCCC2)cc1
InChI Key	UPOVPWMOUWYQOI-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 heteromonocyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides amphetamines and derivatives aniline and substituted anilines azacyclic compounds benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpiperidines phenylpropanoic acids secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid benzoyl benzamide organic oxide tertiary aliphatic/aromatic amine organonitrogen compound alpha-amino acid organopnictogen compound dialkylarylamine piperidine aminobenzoic acid or derivatives tertiary amine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives azacycle n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives carboxamide group aminobenzamide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenylpiperidine hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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