DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:05 UTC
Update Date	2025-03-21 18:04:49 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00052959
Frequency	61.3
Structure
Chemical Formula	C₂₁H₂₃N₃O₄
Molecular Mass	381.1689
SMILES	COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)Cc1c[nH]c2ccccc12
InChI Key	NALMOBDVWCFLLL-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 heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds fatty acid esters fatty amides heteroaromatic compounds hydrocarbon derivatives indoles methyl esters monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives pyrroles secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group indole fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives alpha peptide organic oxide methyl ester aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide alpha-amino acid ester azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group secondary carboxylic acid amide fatty acid ester monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound carboxylic acid ester pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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