DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:22 UTC
Update Date	2025-03-21 18:28:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072607
Frequency	41.1
Structure
Chemical Formula	C₁₉H₂₀N₂O₅
Molecular Mass	356.1372
SMILES	NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)c1ccccc1)C(=O)O
InChI Key	FGQOXBMVMNFZLU-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	dipeptides
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alkyl-phenylketones alpha amino acid amides alpha amino acids amphetamines and derivatives aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids fatty amides gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives 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 aryl alkyl ketone fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives n-acyl-alpha amino acid or derivatives tyrosine or derivatives alpha-amino acid amide n-acyl-alpha-amino acid carboxamide group phenylketone gamma-keto acid butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound keto acid phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound alkyl-phenylketone organooxygen compound aryl ketone

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