DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:12:59 UTC
Update Date	2025-03-21 18:32:54 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00093193
Frequency	30.0
Structure
Chemical Formula	C₁₅H₂₁NO₄
Molecular Mass	279.1471
SMILES	COC(=O)C(Cc1ccccc1)NC(C(=O)O)C(C)C
InChI Key	JRDGWFIIMKMHJV-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 homomonocyclic compounds
Alternative Parents	alpha amino acid esters alpha amino acids amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives methyl esters organic oxides organopnictogen compounds valine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid amino acid organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine alpha-amino acid ester valine or derivatives secondary amine aromatic homomonocyclic compound fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound amine

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