DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:32 UTC
Update Date	2025-03-25 00:56:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02216414
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃ClN₂O
Molecular Mass	212.0716
SMILES	CCC(N)C(=O)Nc1ccc(Cl)cc1
InChI Key	VPYIRBTZOHKAJL-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 homomonocyclic compounds
Alternative Parents	alpha amino acids anilides aryl chlorides carbonyl compounds carboxylic acids and derivatives chlorobenzenes fatty amides hydrocarbon derivatives monoalkylamines n-arylamides organic oxides organochlorides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group organochloride fatty amide n-arylamide organohalogen compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound aryl chloride chlorobenzene alpha-amino acid amide carboxamide group aryl halide aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound halobenzene organooxygen compound

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