| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:33 UTC |
|---|
| Update Date | 2025-03-25 00:45:35 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150081 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H9O6+ |
|---|
| Molecular Mass | 273.0394 |
|---|
| SMILES | O=C1C(O)=C2[O+]=C(c3ccc(O)cc3)C(O)=CC(O)=C12 |
|---|
| InChI Key | PMVGYFYASAPXGP-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | aryl ketones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesorganic cationsorganic oxidesoxacyclic compoundsvinylogous acids |
|---|
| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoidoxacyclevinylogous acidorganic oxidearomatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganic cationorganoheterocyclic compoundaryl ketone |
|---|
