DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:42 UTC
Update Date	2025-03-25 00:51:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184600
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₃N₃O₅
Molecular Mass	255.0855
SMILES	NC(CCONc1ccc([N+](=O)[O-])cc1)C(=O)O
InChI Key	LSVYOWRFOBJNOA-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	alpha amino acids
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxylamino, 2-unsubstituted benzenoids carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives n-organohydroxylamines n-phenylhydroxylamines nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid allyl-type 1,3-dipolar organic compound organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium 1-hydroxylamino, 2-unsubstituted benzenoid nitrobenzene nitroaromatic compound organic 1,3-dipolar compound n-organohydroxylamine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound n-phenylhydroxylamine hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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