DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:12 UTC
Update Date	2025-03-21 18:39:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125111
Frequency	20.5
Structure
Chemical Formula	C₁₃H₁₈N₂O₃
Molecular Mass	250.1317
SMILES	Cc1cccc(C)c1NC(=O)C(N)CCC(=O)O
InChI Key	CZLHWPAQMRPPLL-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids anilides carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides m-xylenes
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide n-arylamide xylene organic oxide organonitrogen compound alpha-amino acid organopnictogen compound alpha-amino acid amide m-xylene glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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