| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:57:32 UTC |
|---|
| Update Date | 2025-03-21 18:05:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00056282 |
|---|
| Frequency | 56.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO2 |
|---|
| Molecular Mass | 151.0633 |
|---|
| SMILES | Cc1cccc(C)c1[N+](=O)[O-] |
|---|
| InChI Key | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | nitrobenzenes |
|---|
| Direct Parent | nitrobenzenes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitroaromatic compoundsnitrotoluenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compoundsm-xylenes |
|---|
| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compoundm-xylenenitrotolueneorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundxyleneorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritenitrobenzene |
|---|
