DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:15 UTC
Update Date	2025-03-25 01:01:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249972
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₃N₃O₄
Molecular Mass	381.1689
SMILES	COc1cccc2[nH]cc(CC(NC(=O)C(N)Cc3ccccc3)C(=O)O)c12
InChI Key	GQFFYNJJKVHJBR-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 heteropolycyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acid amides alpha amino acids amphetamines and derivatives anisoles azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives pyrroles secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid indole fatty amide alpha-amino acid or derivatives alkyl aryl ether organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound anisole pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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