DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:29 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252757
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₂N₂O₅
Molecular Mass	322.1529
SMILES	NC(Cc1ccc(OCCN2CCCC2C(=O)O)cc1)C(=O)O
InChI Key	JHDARFZMAWVHAE-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	phenylalanine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alkyl aryl ethers alpha amino acids amino acids amphetamines and derivatives azacyclic compounds carbonyl compounds carboxylic acids dicarboxylic acids and derivatives hydrocarbon derivatives monoalkylamines n-alkylpyrrolidines organic oxides organopnictogen compounds phenol ethers phenoxy compounds phenylpropanoic acids proline and derivatives pyrrolidine carboxylic acids trialkylamines
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid alkyl aryl ether organic oxide pyrrolidine carboxylic acid alpha-amino acid organonitrogen compound organopnictogen compound pyrrolidine tertiary amine organoheterocyclic compound amphetamine or derivatives proline or derivatives azacycle n-alkylpyrrolidine tertiary aliphatic amine pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound amine organooxygen compound

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