DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:22:27 UTC
Update Date	2025-03-25 01:01:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02252715
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₅N₃O₆
Molecular Mass	297.0961
SMILES	NC(CO)C(=O)NC(Cc1cccc([N+](=O)[O-])c1)C(=O)O
InChI Key	AXYAJOLHURAHQK-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	alpha amino acid amides alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids primary alcohols propargyl-type 1,3-dipolar organic compounds secondary carboxylic acid amides serine and derivatives
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound alpha-amino acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium primary alcohol amphetamine or derivatives nitrobenzene n-acyl-alpha amino acid or derivatives nitroaromatic compound alcohol alpha-amino acid amide n-acyl-alpha-amino acid organic 1,3-dipolar compound carboxamide group aromatic homomonocyclic compound alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound serine or derivatives organooxygen compound organic hyponitrite

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