| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:03:42 UTC |
|---|
| Update Date | 2025-03-21 19:02:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00212864 |
|---|
| Frequency | 10.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H5NO |
|---|
| Molecular Mass | 131.0371 |
|---|
| SMILES | O=C1N=Cc2ccccc21 |
|---|
| InChI Key | XTBAPWCYTNCZTO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoindoles and derivatives |
|---|
| Subclass | isoindolines |
|---|
| Direct Parent | isoindolones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscarboxylic acids and derivativeshydrocarbon derivativesisoindolesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
|---|
| Substituents | azacycleisoindoleorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundisoindoloneorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
|---|
