| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:04:14 UTC |
|---|
| Update Date | 2025-03-21 18:28:30 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00072304 |
|---|
| Frequency | 41.4 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H6NO3+ |
|---|
| Molecular Mass | 164.0342 |
|---|
| SMILES | O=C(O)c1[nH]c2ccccc2[o+]1 |
|---|
| InChI Key | JTVYMHWDLZRSMF-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxazoles |
|---|
| Subclass | benzoxazoles |
|---|
| Direct Parent | benzoxazoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acidsheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundsoxazoles |
|---|
| Substituents | carboxylic acidazacyclebenzoxazoleheteroaromatic compoundoxazolecarboxylic acid derivativeoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganic cationorganooxygen compoundazole |
|---|
