DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:38 UTC
Update Date	2025-03-25 00:51:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186806
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₄N₂O₄
Molecular Mass	308.1736
SMILES	NCCc1ccc(OCC(O)CN2CCCC2C(=O)O)cc1
InChI Key	LJBIDTDSCZGXIO-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	1,2-aminoalcohols alkyl aryl ethers alpha amino acids amino acids azacyclic compounds carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-alkylpyrrolidines organic oxides organopnictogen compounds phenol ethers phenoxy compounds pyrrolidine carboxylic acids secondary alcohols trialkylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound amino acid alkyl aryl ether organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound proline or derivatives alcohol azacycle n-alkylpyrrolidine 1,2-aminoalcohol tertiary aliphatic amine monocarboxylic acid or derivatives pyrrolidine carboxylic acid or derivatives organic oxygen compound secondary alcohol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound amine organooxygen compound

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