| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:43:34 UTC |
|---|
| Update Date | 2025-03-25 00:47:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02163730 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H18O5 |
|---|
| Molecular Mass | 314.1154 |
|---|
| SMILES | CC1(C)CC(c2ccc(O)cc2)Oc2cc(O)cc(O)c2C1=O |
|---|
| InChI Key | RCDRCOBJBSWLGG-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 benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl ethersaryl alkyl ketonesbenzene and substituted derivativeshydrocarbon derivativesorganic oxidesoxacyclic compoundsvinylogous acids |
|---|
| Substituents | monocyclic benzene moietyetheraryl alkyl ketonebenzoxepine1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherketoneoxacyclevinylogous acidorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundphenolhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
|---|
