DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:30:35 UTC
Update Date	2025-03-21 18:41:38 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00135376
Frequency	18.5
Structure
Chemical Formula	C₁₂H₁₄N₂O₅
Molecular Mass	266.0903
SMILES	CC(=O)NC(CC(=O)Nc1ccc(O)cc1)C(=O)O
InChI Key	WSZCZPPAEHABSH-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	asparagine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids acetamides alpha amino acids anilides carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids n-arylamides organic oxides organopnictogen compounds secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid fatty amide 1-hydroxy-2-unsubstituted benzenoid n-arylamide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound asparagine or derivatives acetamide n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid carboxamide group aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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