DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:02:09 UTC
Update Date	2025-03-25 00:54:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02206147
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁N₃O₄
Molecular Mass	237.075
SMILES	NC(=O)c1cc(C(=O)NCC(=O)O)ccc1N
InChI Key	PBLCIZVJWLFKTI-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids hippuric acids and derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines primary carboxylic acid amides secondary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide monocyclic benzene moiety carbonyl group carboxylic acid amino acid benzoyl benzamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide hippuric acid or derivatives benzoic acid or derivatives carboxamide group n-acylglycine aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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