DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:46:52 UTC
Update Date	2025-03-25 00:49:00 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171281
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₃NO₃
Molecular Mass	219.0895
SMILES	COC1CC(=O)N(Cc2ccccc2)C1=O
InChI Key	CXUFYNZKPWWWKU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzene and substituted derivatives
Direct Parent	benzene and substituted derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	azacyclic compounds carbonyl compounds carboxylic acids and derivatives dialkyl ethers dicarboximides hydrocarbon derivatives n-alkylpyrrolidines n-substituted carboxylic acid imides organic oxides organonitrogen compounds organopnictogen compounds pyrrolidine-2-ones
Substituents	2-pyrrolidone monocyclic benzene moiety carbonyl group ether aromatic heteromonocyclic compound azacycle n-alkylpyrrolidine carboxylic acid derivative dialkyl ether carboxylic acid imide organic oxide organic oxygen compound organonitrogen compound organopnictogen compound hydrocarbon derivative dicarboximide organic nitrogen compound pyrrolidine carboxylic acid imide, n-substituted pyrrolidone organoheterocyclic compound organooxygen compound

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