| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:05:10 UTC |
|---|
| Update Date | 2025-03-21 18:28:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00074544 |
|---|
| Frequency | 39.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO5 |
|---|
| Molecular Mass | 211.0481 |
|---|
| SMILES | O=C(O)C(Cc1ccc(O)cc1)[N+](=O)[O-] |
|---|
| InChI Key | DJDKMSXPSMUXCD-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 | tyrosine and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha amino acidsamphetamines and derivativesbenzene and substituted derivativesc-nitro compoundscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenylalanine and derivativesphenylpropanoic acidspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acidallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganic oxoazaniumamphetamine or derivativestyrosine or derivativesorganic 1,3-dipolar compoundaromatic homomonocyclic compoundmonocarboxylic acid or derivativesphenylalanine or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
