DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:03:00 UTC
Update Date	2025-03-25 00:54:42 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02208115
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₈N₂O₄
Molecular Mass	384.2049
SMILES	CC(C)CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1
InChI Key	OSNGWKNZQHFFEB-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	peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives benzyloxycarbonyls carbonyl compounds carboxylic acid esters fatty acid esters fatty amides hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	benzyloxycarbonyl fatty acyl monocyclic benzene moiety carbonyl group fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives alpha peptide organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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