| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:02 UTC |
|---|
| Update Date | 2025-03-25 00:59:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02240189 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H14O7 |
|---|
| Molecular Mass | 318.074 |
|---|
| SMILES | O=C1c2ccc(O)cc2OC(c2ccc(O)c(O)c2)C(O)C1O |
|---|
| InChI Key | HGAIDWPIZXKENP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzoxepines |
|---|
| Subclass | benzoxepines |
|---|
| Direct Parent | benzoxepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundssecondary alcohols |
|---|
| Substituents | alcoholmonocyclic benzene moietyetheraryl alkyl ketonebenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacycleorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone1,2-diol |
|---|
