| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:11:31 UTC |
|---|
| Update Date | 2025-03-25 00:57:57 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02227737 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H9NO3 |
|---|
| Molecular Mass | 179.0582 |
|---|
| SMILES | C=Cc1ccc([N+](=O)[O-])c(OC)c1 |
|---|
| InChI Key | IOQXLSFKTQQPAO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | nitrobenzenes |
|---|
| Direct Parent | nitrophenyl ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisoleshydrocarbon derivativesmethoxybenzenesnitroaromatic compoundsorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | phenol etheretherallyl-type 1,3-dipolar organic compoundalkyl aryl etherorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitroaromatic compoundorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundnitrophenyl etherorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
