DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:53:55 UTC
Update Date	2025-03-21 18:04:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00047954
Frequency	69.3
Structure
Chemical Formula	C₁₃H₁₆N₂O₆
Molecular Mass	296.1008
SMILES	NC(=O)CCC(NC(=O)Cc1ccc(O)c(O)c1)C(=O)O
InChI Key	FJAOGZCZIXZIHN-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	glutamine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids carbonyl compounds carboxylic acids fatty amides hydrocarbon derivatives monocarboxylic acids and derivatives n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds phenylacetamides primary carboxylic acid amides secondary carboxylic acid amides
Substituents	primary carboxylic acid amide fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide 1-hydroxy-2-unsubstituted benzenoid organic oxide organonitrogen compound alpha-amino acid organopnictogen compound phenylacetamide n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid 1-hydroxy-4-unsubstituted benzenoid carboxamide group aromatic homomonocyclic compound secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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