| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:41 UTC |
|---|
| Update Date | 2025-03-25 00:45:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150415 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H12O6 |
|---|
| Molecular Mass | 276.0634 |
|---|
| SMILES | Oc1ccc2c(c1)Oc1cc(O)cc(O)c1C(O)C2O |
|---|
| InChI Key | SZDTYOVFAGKBQN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxepines |
|---|
| Subclass | dibenzoxepines |
|---|
| Direct Parent | dibenzoxepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzenoidsdiarylethershydrocarbon derivativesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | diaryl etheralcoholether1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholhydrocarbon derivativebenzenoiddibenzoxepineorganooxygen compound1,2-diol |
|---|
