| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:54:09 UTC |
|---|
| Update Date | 2025-03-21 18:04:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00048520 |
|---|
| Frequency | 68.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO3 |
|---|
| Molecular Mass | 179.0582 |
|---|
| SMILES | C=CCc1ccc(O)c([N+](=O)[O-])c1 |
|---|
| InChI Key | BZGLPMHVRCBLRM-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 benzenoidshydrocarbon derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | nitroaromatic compoundmonocyclic benzene moietyallyl-type 1,3-dipolar organic compound1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumnitrophenolorganooxygen compoundorganic hyponitritenitrobenzene |
|---|
