DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:47:07 UTC
Update Date	2025-03-25 00:49:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02171841
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₄N₂O₃
Molecular Mass	222.1004
SMILES	CN(C)CC(=O)Nc1ccc2c(c1)OCO2
InChI Key	YGUNAUHISYBALK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acid amides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	acetals alpha amino acids benzenoids benzodioxoles carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-arylamides organic oxides organopnictogen compounds oxacyclic compounds secondary carboxylic acid amides trialkylamines
Substituents	carbonyl group n-arylamide organic oxide acetal aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine organoheterocyclic compound benzodioxole alpha-amino acid amide tertiary aliphatic amine carboxamide group oxacycle secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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