| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:37:55 UTC |
|---|
| Update Date | 2025-03-25 00:45:44 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02150959 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO2 |
|---|
| Molecular Mass | 205.1103 |
|---|
| SMILES | CN1CCCc2cc3c(cc2C1)OCO3 |
|---|
| InChI Key | NYBVSDKBHUYHDQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzazepines |
|---|
| Subclass | benzazepines |
|---|
| Direct Parent | benzazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | acetalsaralkylaminesazacyclic compoundsazepinesbenzenoidsbenzodioxoleshydrocarbon derivativesorganooxygen compoundsorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | azacycletertiary aliphatic aminearalkylamineoxacycleorganic oxygen compoundazepineacetalaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineaminetertiary amineorganooxygen compoundbenzodioxole |
|---|
