DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:43:28 UTC
Update Date	2025-03-25 00:47:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02163482
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₄
Molecular Mass	318.158
SMILES	O=C(O)C(Cc1ccccc1)NC(=O)C1C(O)CC2CCC1N2
InChI Key	MTOCGNJUVITOBV-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 heteropolycyclic compounds
Alternative Parents	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids cyclic alcohols and derivatives dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids piperidinecarboxamides piperidines pyrrolidines secondary alcohols secondary carboxylic acid amides tropane alkaloids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid amino acid organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine piperidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alcohol secondary aliphatic amine azacycle n-acyl-alpha-amino acid piperidinecarboxamide 3-piperidinecarboxamide cyclic alcohol secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid organic nitrogen compound tropane alkaloid organooxygen compound amine

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