| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:36:04 UTC |
|---|
| Update Date | 2025-03-21 17:57:11 UTC |
|---|
| HMDB ID | HMDB0041950 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00006283 |
|---|
| Name | Nitrobenzene |
|---|
| Frequency | 824.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C6H5NO2 |
|---|
| Molecular Mass | 123.032 |
|---|
| SMILES | O=[N+]([O-])c1ccccc1 |
|---|
| InChI Key | LQNUZADURLCDLV-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 compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | nitroaromatic compoundallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitritenitrobenzene |
|---|
