DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:41:59 UTC
Update Date	2025-03-25 00:47:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160172
Frequency	0.5
Structure
Chemical Formula	C₁₅H₂₃N₅O₄
Molecular Mass	337.175
SMILES	Nc1ccccc1C(=O)CC(N)NC(=O)NCCCC(N)C(=O)O
InChI Key	NDJAMOUGODNNTB-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 carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic carbonic acids and derivatives organic oxides organopnictogen compounds vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide carbonic acid derivative aromatic homomonocyclic compound monocarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

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