DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:49:11 UTC
Update Date	2025-03-21 18:02:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00036600
Frequency	96.6
Structure
Chemical Formula	C₁₃H₂₀N₂O
Molecular Mass	220.1576
SMILES	Cc1cccc(C)c1NC(=O)C(C)N(C)C
InChI Key	RQJKVPUBSZKQIR-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	alanine and derivatives alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives hydrocarbon derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines m-xylenes
Substituents	monocyclic benzene moiety carbonyl group n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound tertiary amine alpha-amino acid amide tertiary aliphatic amine m-xylene carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide organic oxygen compound alanine or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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