| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:52:22 UTC |
|---|
| Update Date | 2025-03-21 18:03:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00044221 |
|---|
| Frequency | 120.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H9O5+ |
|---|
| Molecular Mass | 245.0444 |
|---|
| SMILES | Oc1ccc2[o+]c(-c3ccc(O)c(O)c3)oc2c1 |
|---|
| InChI Key | XCGLLSYTFRUVSR-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganooxygen compoundsoxacyclic compounds |
|---|
| Substituents | monocyclic benzene moietyheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
