| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:07:43 UTC |
|---|
| Update Date | 2025-03-25 00:56:33 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02219191 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO4 |
|---|
| Molecular Mass | 181.0375 |
|---|
| SMILES | COc1ccc([N+](=O)[O-])cc1C=O |
|---|
| InChI Key | YWVSKFXYEWMHEO-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 ethersanisolesbenzaldehydesbenzoyl derivativeshydrocarbon derivativesmethoxybenzenesnitroaromatic compoundsnitrobenzaldehydesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | phenol etheretherallyl-type 1,3-dipolar organic compoundbenzoylalkyl aryl etherorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidearyl-aldehydec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumnitroaromatic compoundaldehydeorganic 1,3-dipolar compoundmethoxybenzenearomatic homomonocyclic compoundbenzaldehydenitrophenyl ethernitrobenzaldehydeorganic oxygen compoundanisolehydrocarbon derivativeorganic nitrogen compoundphenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
