DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:04 UTC
Update Date	2025-03-25 00:59:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02235790
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₃
Molecular Mass	238.1317
SMILES	COc1ccc(NC(=O)CC(C)N)c(OC)c1
InChI Key	BDECIABHEGRDOO-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	beta amino acids and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alkyl aryl ethers anilides anisoles carbonyl compounds carboxylic acids and derivatives dimethoxybenzenes fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organopnictogen compounds phenoxy compounds secondary carboxylic acid amides
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether fatty amide n-arylamide alkyl aryl ether dimethoxybenzene organic oxide organonitrogen compound organopnictogen compound carboxamide group methoxybenzene beta amino acid or derivatives aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound m-dimethoxybenzene anisole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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