| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:53:08 UTC |
|---|
| Update Date | 2025-03-21 18:03:43 UTC |
|---|
| HMDB ID | HMDB0062188 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00046096 |
|---|
| Name | 1-nitronaphthalene |
|---|
| Frequency | 72.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C10H7NO2 |
|---|
| Molecular Mass | 173.0477 |
|---|
| SMILES | O=[N+]([O-])c1cccc2ccccc12 |
|---|
| InChI Key | RJKGJBPXVHTNJL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | nitronaphthalenes |
|---|
| Direct Parent | nitronaphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic 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 compoundaromatic homopolycyclic compoundorganic 1,3-dipolar compoundorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxide1-nitronaphthaleneorganic oxygen compoundc-nitro compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic oxoazaniumorganic hyponitrite |
|---|
