DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:12:43 UTC
Update Date	2025-03-25 00:58:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02230329
Frequency	0.5
Structure
Chemical Formula	C₁₃H₂₂N₂O₄
Molecular Mass	270.158
SMILES	CN(C)CCN1C(=O)CC(OC(=O)C(C)(C)C)C1=O
InChI Key	WHOULCNAICASHT-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	carboxylic acid derivatives
Direct Parent	n-substituted carboxylic acid imides
Geometric Descriptor	aliphatic heteromonocyclic compounds
Alternative Parents	amino acids and derivatives azacyclic compounds carbonyl compounds carboxylic acid esters dicarboximides hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds pyrrolidine-2-ones trialkylamines
Substituents	2-pyrrolidone carbonyl group amino acid or derivatives organic oxide aliphatic heteromonocyclic compound organonitrogen compound organopnictogen compound dicarboximide pyrrolidine carboxylic acid imide, n-substituted pyrrolidone tertiary amine organoheterocyclic compound azacycle n-alkylpyrrolidine tertiary aliphatic amine monocarboxylic acid or derivatives organic oxygen compound carboxylic acid ester hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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