DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:03 UTC
Update Date	2025-03-25 00:59:56 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240201
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₀N₂O₈
Molecular Mass	368.122
SMILES	NC(CCC(=O)NC(CCOC(=O)c1ccccc1O)C(=O)O)C(=O)O
InChI Key	RDZVLGNILWLXAA-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 1-hydroxy-4-unsubstituted benzenoids alpha amino acids benzoyl derivatives carbonyl compounds carboxylic acid esters carboxylic acids glutamine and derivatives hydrocarbon derivatives monoalkylamines n-acyl amines n-acyl-alpha amino acids organic oxides organonitrogen compounds organopnictogen compounds salicylic acid and derivatives secondary carboxylic acid amides tricarboxylic acids and derivatives vinylogous acids o-hydroxybenzoic acid esters
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glutamine or derivatives fatty amide benzoyl 1-hydroxy-2-unsubstituted benzenoid tricarboxylic acid or derivatives benzoate ester alpha-amino acid or derivatives organic oxide organonitrogen compound alpha-amino acid organopnictogen compound n-acyl-alpha amino acid or derivatives n-acyl-alpha-amino acid benzoic acid or derivatives 1-hydroxy-4-unsubstituted benzenoid carboxamide group n-acyl-amine aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide vinylogous acid organic oxygen compound salicylic acid or derivatives o-hydroxybenzoic acid ester carboxylic acid ester phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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