DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:50:06 UTC
Update Date	2025-03-25 00:50:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02178752
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₁N₃O₆
Molecular Mass	399.143
SMILES	Cc1ccccc1NC(=O)Nc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1
InChI Key	QREOFCDLQQLBKO-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids n-phenylureas organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds secondary carboxylic acid amides toluenes
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives carbonic acid derivative n-acyl-alpha-amino acid hippuric acid or derivatives benzoic acid or derivatives glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide n-phenylurea organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound toluene organooxygen compound

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