| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 16:15:16 UTC |
|---|
| Update Date | 2025-03-25 01:21:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02374119 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H7O3+ |
|---|
| Molecular Mass | 139.039 |
|---|
| SMILES | CC(=O)c1ccc[o+]c1O |
|---|
| InChI Key | GHDWIOYZXHAFKH-UHFFFAOYSA-O |
|---|
| 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 compoundsvinylogous acids |
|---|
| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundheteroaromatic compoundoxacyclevinylogous acidorganic oxidehydrocarbon derivativeorganic cationorganoheterocyclic compound |
|---|
