| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:30:04 UTC |
|---|
| Update Date | 2025-03-21 18:41:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00134224 |
|---|
| Frequency | 18.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H10N2O4 |
|---|
| Molecular Mass | 210.0641 |
|---|
| SMILES | CC(=O)NCc1ccc(O)c([N+](=O)[O-])c1 |
|---|
| InChI Key | JDFCVPFUXYUGHS-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | nitrophenols |
|---|
| Direct Parent | nitrophenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsacetamidescarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundssecondary carboxylic acid amides |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitrophenolacetamidenitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundcarboxamide grouparomatic homomonocyclic compoundsecondary carboxylic acid amideorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundorganic hyponitrite |
|---|
