DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:31 UTC
Update Date	2025-03-25 00:50:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02179696
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₃N₃O₅
Molecular Mass	361.1638
SMILES	COc1ccc2[nH]cc(CC(NC(=O)CCCNC(C)=O)C(=O)O)c2c1
InChI Key	DJDCUEQIFUPKKG-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	n-acyl-alpha amino acids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetamides alkyl aryl ethers alpha amino acids anisoles azacyclic compounds carbonyl compounds carboxylic acids gamma amino acids and derivatives heteroaromatic compounds hydrocarbon derivatives indoles monocarboxylic acids and derivatives n-acyl amines organic oxides organonitrogen compounds organopnictogen compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl phenol ether carbonyl group ether carboxylic acid indole gamma amino acid or derivatives fatty amide alkyl aryl ether organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound acetamide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives carboxamide group n-acyl-amine secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound anisole pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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