| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:03:06 UTC |
|---|
| Update Date | 2025-03-21 18:07:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00069594 |
|---|
| Frequency | 55.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H9O8+ |
|---|
| Molecular Mass | 305.0292 |
|---|
| SMILES | O=c1oc(-c2cc(O)c(O)c(O)c2)[o+]c2cc(O)cc(O)c12 |
|---|
| InChI Key | IDAUVPXBZRSIPV-UHFFFAOYSA-O |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | benzenetriols and derivatives |
|---|
| Direct Parent | pyrogallols and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeslactonesorganic cationsorganic oxidesorganooxygen compoundsoxacyclic compoundsvinylogous acids |
|---|
| Substituents | monocyclic benzene moietypyrogallol derivativeheteroaromatic compound1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidlactoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundhydrocarbon derivativeorganic cationorganoheterocyclic compoundorganooxygen compound |
|---|
