| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:44:44 UTC |
|---|
| Update Date | 2025-03-25 01:10:09 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02303554 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C8H9O2+ |
|---|
| Molecular Mass | 137.0597 |
|---|
| SMILES | CC(=O)c1cccc(C)[o+]1 |
|---|
| InChI Key | NRRTYAWRWYNQAL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl alkyl ketones |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | heteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compounds |
|---|
| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundoxacycleorganic oxidehydrocarbon derivativeorganic cationorganoheterocyclic compound |
|---|
