DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:18:20 UTC
Update Date	2025-03-21 18:35:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00106273
Frequency	25.4
Structure
Chemical Formula	C₁₅H₂₀N₂O₆
Molecular Mass	324.1321
SMILES	COC(=O)C(CCC(=O)O)NC(=O)C(N)Cc1ccc(O)cc1
InChI Key	BBINHHQCQWQHBA-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 benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives fatty acid esters fatty amides glutamic acid and derivatives hydrocarbon derivatives methyl esters monoalkylamines 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 glutamic acid or derivatives carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide fatty acid ester phenylalanine or derivatives organic oxygen compound carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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