DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:01:16 UTC
Update Date	2025-03-21 18:06:47 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00065159
Frequency	47.0
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	Cc1cccc(C)c1NC(=O)CN(C)CC(=O)O
InChI Key	GDTHDXCFFGJYBA-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 amino acids anilides carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides trialkylamines m-xylenes
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid n-arylamide xylene organic oxide alpha-amino acid organonitrogen compound organopnictogen compound tertiary amine alpha-amino acid amide tertiary aliphatic amine m-xylene carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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