| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:41:46 UTC |
|---|
| Update Date | 2025-03-25 00:47:08 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02159674 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H10O6 |
|---|
| Molecular Mass | 322.0477 |
|---|
| SMILES | O=c1c2ccc(O)cc2oc(=O)c2c(-c3ccc(O)cc3)coc12 |
|---|
| InChI Key | VJRSUKQRJNRSJB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxepines |
|---|
| Subclass | benzoxepines |
|---|
| Direct Parent | benzoxepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsbenzene and substituted derivativesfuransheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsoxacyclic compounds |
|---|
| Substituents | furanmonocyclic benzene moietybenzoxepineheteroaromatic compound1-hydroxy-2-unsubstituted benzenoidlactoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
