| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:45 UTC |
|---|
| Update Date | 2025-03-25 00:53:36 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02200732 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H19NO3 |
|---|
| Molecular Mass | 297.1365 |
|---|
| SMILES | COc1ccc2c3c1OC1C(=O)C=CC4CCN(C)C(C2)C341 |
|---|
| InChI Key | JMKUXLISLWVCRO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isoquinolines and derivatives |
|---|
| Subclass | isoquinolones and derivatives |
|---|
| Direct Parent | isoquinolones and derivatives |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundscoumaranscyclohexenoneshydrocarbon derivativesindanesketonesorganic oxidesorganopnictogen compoundsoxacyclic compoundspiperidinestrialkylamines |
|---|
| Substituents | cyclohexenonephenol ethercarbonyl groupetheralkyl aryl etherketoneorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundisoquinolonepiperidinetertiary aminecoumaranazacycletertiary aliphatic amineoxacycleorganic oxygen compoundanisoleindanehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
