DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:44:12 UTC
Update Date	2025-03-21 18:00:03 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00024786
Frequency	187.0
Structure
Chemical Formula	C₁₁H₁₄N₄O₃
Molecular Mass	250.1066
SMILES	N=C(N)NC(CC(=O)c1ccccc1N)C(=O)O
InChI Key	ZFLQVTRNNNGAGQ-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	alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboximidamides carboxylic acids gamma-keto acids and derivatives guanidines hydrocarbon derivatives imines monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid guanidine imine benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide carboximidamide gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives keto acid hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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