| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 03:38:53 UTC |
|---|
| Update Date | 2025-03-21 22:52:51 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00577710 |
|---|
| Frequency | 2.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9NO |
|---|
| Molecular Mass | 135.0684 |
|---|
| SMILES | C[N+]([O-])=Cc1ccccc1 |
|---|
| InChI Key | AKVBBQCAQAJLKM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzene and substituted derivatives |
|---|
| Direct Parent | benzene and substituted derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitronesorganic oxidesorganic oxoanionic compoundsorganonitrogen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | monocyclic benzene moietyallyl-type 1,3-dipolar organic compoundorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganic hyponitritenitrone |
|---|
