| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:55 UTC |
|---|
| Update Date | 2025-03-25 01:01:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02251514 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O4 |
|---|
| Molecular Mass | 244.0736 |
|---|
| SMILES | Oc1cc(O)cc(Cc2ccc3c(c2)OCO3)c1 |
|---|
| InChI Key | HPMRFXOHBKWZTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbenzene and substituted derivativeshydrocarbon derivativesorganooxygen compoundsoxacyclic compoundsresorcinols |
|---|
| Substituents | monocyclic benzene moiety1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidresorcinoloxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundbenzodioxole |
|---|
