| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:35 UTC |
|---|
| Update Date | 2025-03-25 00:51:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188953 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H23NO3 |
|---|
| Molecular Mass | 289.1678 |
|---|
| SMILES | CC(O)C1OC(Oc2ccc(C#N)cc2)C(C)C(C)C1C |
|---|
| InChI Key | VBORTSGMJDPJNQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acetalsbenzonitrileshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietynitrilearomatic heteromonocyclic compoundbenzonitrileoxacycleorganic oxygen compoundacetalorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundphenoxy compoundoxanecarbonitrileorganoheterocyclic compoundorganooxygen compound |
|---|
