DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:56:57 UTC
Update Date	2025-03-21 18:05:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00054923
Frequency	58.4
Structure
Chemical Formula	C₁₀H₁₃N₃O₃
Molecular Mass	223.0957
SMILES	NC(=O)C(N)CC(=O)c1cccc(O)c1N
InChI Key	SKYQMAXLLGUTGT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids and derivatives fatty amides hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds primary carboxylic acid amides vinylogous amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety aryl alkyl ketone amino acid or derivatives fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide 1-hydroxy-4-unsubstituted benzenoid carboxamide group butyrophenone aromatic homomonocyclic compound phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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