| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:10 UTC |
|---|
| Update Date | 2025-03-25 00:51:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02190266 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15NO3 |
|---|
| Molecular Mass | 221.1052 |
|---|
| SMILES | CC(=O)N1Cc2ccccc2C(O)C(O)C1 |
|---|
| InChI Key | PGQPUGHXZKEOGB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzazepines |
|---|
| Subclass | benzazepines |
|---|
| Direct Parent | benzazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-diolsacetamidesazacyclic compoundsazepinesbenzenoidscarbonyl compoundscarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary alcoholstertiary carboxylic acid amides |
|---|
| Substituents | alcoholcarbonyl groupazacyclecarboxamide groupcarboxylic acid derivativeorganic oxideorganic oxygen compoundazepinearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundbenzazepineacetamideorganooxygen compound1,2-diol |
|---|
