DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:18 UTC
Update Date	2025-03-25 00:56:46 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220573
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₆
Molecular Mass	336.1321
SMILES	O=C(O)CNC(=O)C1CCCN1C(Cc1ccc(O)cc1)C(=O)O
InChI Key	MVXQCNYSECXPJF-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	acyl glycines
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dipeptides hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides trialkylamines tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid 1-hydroxy-2-unsubstituted benzenoid alpha peptide organic oxide alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-alkylpyrrolidine tertiary aliphatic amine carboxamide group n-acylglycine alpha-dipeptide secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide amine organooxygen compound

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