DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:19 UTC
Update Date	2025-03-25 00:56:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02218269
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₈N₂O₂
Molecular Mass	222.1368
SMILES	Cc1cccc(NC(=O)CNCCO)c1C
InChI Key	XJTGWJYGQLUIPW-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	alcohols and polyols alkanolamines alpha amino acids anilides carbonyl compounds carboxylic acids and derivatives dialkylamines hydrocarbon derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides o-xylenes
Substituents	monocyclic benzene moiety carbonyl group n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alkanolamine alcohol secondary aliphatic amine alpha-amino acid amide secondary amine carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide o-xylene organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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