DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:21:06 UTC
Update Date	2025-03-25 01:01:29 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249609
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀NO₄+
Molecular Mass	290.1387
SMILES	C[N+]1(C)CC(OC(=O)C=Cc2ccccc2)CC1C(=O)O
InChI Key	UXSDLGGXKHROOT-UHFFFAOYSA-O
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	alpha amino acids amines azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids cinnamic acids and derivatives dicarboxylic acids and derivatives enoate esters fatty acid esters hydrocarbon derivatives n-alkylpyrrolidines organic cations organic oxides organic salts organopnictogen compounds pyrrolidine carboxylic acids tetraalkylammonium salts
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound organic cation organic salt pyrrolidine organoheterocyclic compound enoate ester proline or derivatives tetraalkylammonium salt azacycle n-alkylpyrrolidine quaternary ammonium salt fatty acid ester pyrrolidine carboxylic acid or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound

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