DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:57 UTC
Update Date	2025-03-25 00:52:30 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02194223
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₇N₃O₇
Molecular Mass	339.1066
SMILES	CN(C)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1[N+](=O)[O-]
InChI Key	MSYJCUCUTZOIAP-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	glutamic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amino acids aminobenzamides aniline and substituted anilines benzoyl derivatives carbonyl compounds carboxylic acids dialkylarylamines dicarboxylic acids and derivatives hippuric acids and derivatives hydrocarbon derivatives n-acyl-alpha amino acids nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid amino acid allyl-type 1,3-dipolar organic compound benzoyl benzamide organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide tertiary aliphatic/aromatic amine c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium dialkylarylamine aminobenzoic acid or derivatives tertiary amine nitrobenzene n-acyl-alpha amino acid or derivatives nitroaromatic compound n-acyl-alpha-amino acid hippuric acid or derivatives aniline or substituted anilines benzoic acid or derivatives organic 1,3-dipolar compound glutamic acid or derivatives carboxamide group aminobenzamide aromatic homomonocyclic compound secondary carboxylic acid amide organic oxygen compound dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound amine organooxygen compound organic hyponitrite

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