DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:54:46 UTC
Update Date	2025-03-25 00:51:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02189399
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₄N₂O₅
Molecular Mass	336.1685
SMILES	CC(C)c1ccc(CC(NC(=O)C(N)CCC(=O)O)C(=O)O)cc1
InChI Key	SZSMJUPSJIIDKF-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 homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives aromatic monoterpenoids carbonyl compounds carboxylic acids cumenes dicarboxylic acids and derivatives glutamic acid and derivatives hydrocarbon derivatives monoalkylamines monocyclic monoterpenoids n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanes phenylpropanoic acids secondary carboxylic acid amides
Substituents	fatty acyl monoterpenoid monocyclic benzene moiety carbonyl group monocyclic monoterpenoid carboxylic acid 3-phenylpropanoic-acid fatty amide alpha-amino acid or derivatives p-cymene phenylpropane organic oxide organonitrogen compound alpha-amino acid organopnictogen compound cumene amphetamine or derivatives n-acyl-alpha amino acid or derivatives alpha-amino acid amide n-acyl-alpha-amino acid glutamic acid or derivatives carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound aromatic monoterpenoid

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