DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:02:08 UTC
Update Date	2025-03-21 18:07:06 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00067249
Frequency	45.2
Structure
Chemical Formula	C₁₂H₁₅N₃O₅
Molecular Mass	281.1012
SMILES	Nc1c(O)cccc1C(=O)CC(N)C(=O)NCC(=O)O
InChI Key	MREKHXTWGBFJMV-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	acyl glycines
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alkyl-phenylketones alpha amino acid amides alpha amino acids amino acids aryl alkyl ketones benzoyl derivatives butyrophenones carboxylic acids dipeptides hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl amines organic oxides organopnictogen compounds secondary carboxylic acid amides vinylogous amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid aryl alkyl ketone amino acid fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha peptide ketone organic oxide organonitrogen compound alpha-amino acid organopnictogen compound vinylogous amide alpha-amino acid amide 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine n-acylglycine phenylketone butyrophenone aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone organooxygen compound aryl ketone

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