DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:16:48 UTC
Update Date	2025-03-25 00:59:51 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02239647
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₃O₃
Molecular Mass	223.0957
SMILES	NCC(NC(=O)c1cccc(N)c1)C(=O)O
InChI Key	MLPNSASWRJRXRP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	hippuric acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids benzoyl derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid hippuric acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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