DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:04:29 UTC
Update Date	2025-03-25 00:55:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02211691
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₄
Molecular Mass	250.0954
SMILES	CC(=O)NCCC(=O)c1c(N)cccc1C(=O)O
InChI Key	RPGRDMMUDVVRQM-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-carboxy-2-haloaromatic compounds acetamides amino acids aryl alkyl ketones benzoic acids benzoyl derivatives hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines secondary carboxylic acid amides vinylogous amides
Substituents	monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid benzoyl carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid acetamide vinylogous amide benzoic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine alkyl-phenylketone

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