DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:00:55 UTC
Update Date	2025-03-21 18:06:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00064344
Frequency	47.8
Structure
Chemical Formula	C₁₀H₁₃N₃O₃
Molecular Mass	223.0957
SMILES	Nc1ccccc1NC(=O)CC(N)C(=O)O
InChI Key	HKQRYFCTOFZWFB-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	asparagine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids anilides carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid fatty amide n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine organooxygen compound

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