DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:55:25 UTC
Update Date	2025-03-21 18:04:33 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00051444
Frequency	63.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₅
Molecular Mass	320.1372
SMILES	CC(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O
InChI Key	JIOLQFKZMGRGEW-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	dipeptides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-acylpyrrolidines organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids proline and derivatives pyrrolidinecarboxamides secondary carboxylic acid amides tertiary carboxylic acid amides tyrosine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid n-acylpyrrolidine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives organic oxide tertiary carboxylic acid amide organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound acetamide amphetamine or derivatives n-acyl-alpha amino acid or derivatives proline or derivatives tyrosine or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound pyrrolidine-2-carboxamide organooxygen compound

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