DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:06 UTC
Update Date	2025-03-25 00:47:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02160406
Frequency	0.5
Structure
Chemical Formula	C₁₃H₁₆N₂O₄
Molecular Mass	264.111
SMILES	Nc1ccc(C(=O)OCN2CCCC2C(=O)O)cc1
InChI Key	NWDQXUJNCYBWRU-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	alpha amino acids amino acids azacyclic compounds benzoic acid esters benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds primary amines pyrrolidine carboxylic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid benzoyl benzoate ester organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound proline or derivatives azacycle n-alkylpyrrolidine benzoic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary amine organic nitrogen compound amine organooxygen compound

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