DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:44:57 UTC
Update Date	2025-03-25 00:48:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02166951
Frequency	0.5
Structure
Chemical Formula	C₁₈H₂₅NO₃
Molecular Mass	303.1834
SMILES	CC(C)(C)c1ccc(C(=O)CCN2CCCC2C(=O)O)cc1
InChI Key	HZGBWKNUPGKOCJ-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	proline and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkyl-phenylketones alpha amino acids amino acids aryl alkyl ketones azacyclic compounds benzoyl derivatives beta-amino ketones carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenylpropanes pyrrolidine carboxylic acids trialkylamines
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone aromatic heteromonocyclic compound amino acid benzoyl ketone phenylpropane organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound beta-aminoketone pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine phenylketone monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound hydrocarbon derivative benzenoid organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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