DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:38:50 UTC
Update Date	2025-03-25 00:46:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02153085
Frequency	0.5
Structure
Chemical Formula	C₉H₁₁N₃O₃
Molecular Mass	209.08
SMILES	NC(=O)CC(=O)c1c(O)ccc(N)c1N
InChI Key	QJMXPBQRUMFAQQ-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 amino acids and derivatives aryl alkyl ketones benzoyl derivatives carboxylic acids and derivatives fatty amides hydrocarbon derivatives organic oxides organopnictogen compounds primary amines primary carboxylic acid amides vinylogous acids 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 carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound vinylogous amide carboxamide group aromatic homomonocyclic compound vinylogous acid phenol hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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