DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:43:48 UTC
Update Date	2025-03-21 17:59:53 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00023842
Frequency	164.2
Structure
Chemical Formula	C₁₄H₁₈N₂O₆
Molecular Mass	310.1165
SMILES	COC(=O)C(Cc1ccc(O)cc1)NC(=O)C(N)CC(=O)O
InChI Key	KUEMUSIPJOWTBX-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	peptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acid amides alpha amino acid esters alpha amino acids amphetamines and derivatives aspartic acid and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acid esters hydrocarbon derivatives methyl esters monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylalanine and derivatives secondary carboxylic acid amides tyrosine and derivatives
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives alpha peptide organic oxide methyl ester organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide alpha-amino acid ester n-acyl-alpha-amino acid carboxamide group n-acyl-amine aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester aspartic acid or derivatives dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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