DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:06:47 UTC
Update Date	2025-03-25 00:56:14 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02217003
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₈N₂O₅
Molecular Mass	306.1216
SMILES	O=C(O)C(Cc1ccccc1)NC(=O)C1CNCC1C(=O)O
InChI Key	VLXGUARDXCZHOS-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	alpha amino acids amino acids amphetamines and derivatives azacyclic compounds benzene and substituted derivatives beta amino acids and derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids organic oxides organopnictogen compounds phenylpropanoic acids pyrrolidine carboxylic acids pyrrolidinecarboxamides secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 3-phenylpropanoic-acid amino acid organic oxide pyrrolidine carboxylic acid organonitrogen compound alpha-amino acid organopnictogen compound pyrrolidine organoheterocyclic compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives secondary aliphatic amine azacycle n-acyl-alpha-amino acid secondary amine carboxamide group beta amino acid or derivatives secondary carboxylic acid amide pyrrolidine carboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrolidine-3-carboxamide dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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