| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:56:58 UTC |
|---|
| Update Date | 2025-03-25 00:52:31 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02194268 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H15NO3 |
|---|
| Molecular Mass | 233.1052 |
|---|
| SMILES | CN1CC2C(O)c3cc4c(cc3CC21)OCO4 |
|---|
| InChI Key | SCZIIUJPOWGQHF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzazocines |
|---|
| Direct Parent | benzazocines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsazacyclic compoundsazetidinesbenzodioxoleshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundssecondary alcoholstetralinstrialkylamines |
|---|
| Substituents | alcoholtetralinazacycletertiary aliphatic amineazetidineoxacycleorganic oxygen compoundacetalaromatic heteropolycyclic compoundbenzazocineorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganoheterocyclic compoundorganooxygen compoundbenzodioxole |
|---|
