| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:33 UTC |
|---|
| Update Date | 2025-03-25 00:52:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02191091 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H21NO4 |
|---|
| Molecular Mass | 303.1471 |
|---|
| SMILES | C=CC1(O)C(=O)N2CCC1CC2C(O)c1ccc(OC)cc1 |
|---|
| InChI Key | PDDLDAPTOPNZAR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | quinuclidines |
|---|
| Subclass | quinuclidones |
|---|
| Direct Parent | quinuclidones |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesaromatic alcoholsazacyclic compoundscarbonyl compoundscarboxylic acids and derivativesdelta lactamshydrocarbon derivativesmethoxybenzenesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsphenoxy compoundspiperidinonessecondary alcoholstertiary alcoholstertiary carboxylic acid amides |
|---|
| Substituents | aromatic alcoholphenol ethermonocyclic benzene moietycarbonyl groupetherlactamalkyl aryl ethercarboxylic acid derivativeorganic oxidearomatic heteropolycyclic compoundtertiary carboxylic acid amideorganonitrogen compoundorganopnictogen compoundpiperidinonepiperidinealcoholazacyclecarboxamide groupmethoxybenzenedelta-lactamtertiary alcoholorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundquinuclidoneorganooxygen compound |
|---|
