| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:26 UTC |
|---|
| Update Date | 2025-03-21 18:03:27 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044407 |
|---|
| Frequency | 76.2 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H10N2O5 |
|---|
| Molecular Mass | 262.059 |
|---|
| SMILES | O=C(O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 |
|---|
| InChI Key | HKNOSSGRHQYZMZ-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 heteromonocyclic compounds |
|---|
| Alternative Parents | amino acidsbenzoic acidsbenzoyl derivativescarboxylic acidsfuransheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesnitroaromatic compoundsnitrobenzenesorganic oxidesorganic oxoanionic compoundsorganic oxoazanium compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsphenylalkylaminespropargyl-type 1,3-dipolar organic compoundssecondary alkylarylamines |
|---|
| Substituents | furancarboxylic acidaromatic heteromonocyclic compoundamino acid or derivativesamino acidallyl-type 1,3-dipolar organic compoundbenzoylcarboxylic acid derivativeorganic nitro compoundpropargyl-type 1,3-dipolar organic compoundorganic oxidec-nitro compoundorganonitrogen compoundorganopnictogen compoundorganic oxoazaniumbenzoic acidorganoheterocyclic compoundnitrobenzenenitroaromatic compoundheteroaromatic compoundorganic 1,3-dipolar compoundsecondary aminesecondary aliphatic/aromatic amineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundphenylalkylaminehydrocarbon derivativeorganic nitrogen compoundnitrobenzoateamineorganooxygen compoundorganic hyponitrite |
|---|
