DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:26:21 UTC
Update Date	2025-03-21 18:39:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00125495
Frequency	20.4
Structure
Chemical Formula	C₉H₁₁N₂O₄+
Molecular Mass	211.0713
SMILES	NC(Cc1ccc([N+](=O)O)cc1)C(=O)O
InChI Key	XYAIJGQLOITFEG-UHFFFAOYSA-O
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	phenylalanine and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-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 amphetamine or derivatives nitrobenzene nitroaromatic compound organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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