| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:14:26 UTC |
|---|
| Update Date | 2025-03-21 18:33:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00096664 |
|---|
| Frequency | 28.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H7NO6 |
|---|
| Molecular Mass | 213.0273 |
|---|
| SMILES | COc1cc(C(=O)O)cc([N+](=O)[O-])c1O |
|---|
| InChI Key | AEDVAGWYAKIOIM-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoic acids and derivatives |
|---|
| Direct Parent | nitrobenzoic acids and derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesbenzoic acidsbenzoyl derivativescarboxylic acidshydrocarbon derivativeshydroxybenzoic acid derivativesm-methoxybenzoic acids and derivativesmethoxybenzenesmethoxyphenolsmonocarboxylic acids and derivativesnitroaromatic compoundsnitrophenolsnitrophenyl ethersorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | phenol etherethercarboxylic acidallyl-type 1,3-dipolar organic compoundbenzoylmethoxyphenolalkyl aryl ethercarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidm-methoxybenzoic acid or derivativesnitrophenolnitrobenzenenitroaromatic compoundorganic 1,3-dipolar compoundmethoxybenzenehydroxybenzoic acidaromatic homomonocyclic compoundmonocarboxylic acid or derivativesnitrophenyl etherorganic oxygen compoundanisolephenolhydrocarbon derivativeorganic nitrogen compoundnitrobenzoatephenoxy compoundorganooxygen compoundorganic hyponitrite |
|---|
