| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:55:01 UTC |
|---|
| Update Date | 2025-03-25 00:51:52 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02189966 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H23NO3 |
|---|
| Molecular Mass | 301.1678 |
|---|
| SMILES | C=CC1CN2CCC1CCC2C(O)c1ccc2c(c1)OCO2 |
|---|
| InChI Key | ZRJPXPHEKOSEGJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzodioxoles |
|---|
| Subclass | benzodioxoles |
|---|
| Direct Parent | benzodioxoles |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | 1,2-aminoalcoholsacetalsaromatic alcoholsazacyclic compoundsazepanesbenzenoidshydrocarbon derivativesorganopnictogen compoundsoxacyclic compoundspiperidinessecondary alcoholstrialkylamines |
|---|
| Substituents | aromatic alcoholalcoholazacycle1,2-aminoalcoholtertiary aliphatic amineoxacycleazepaneorganic oxygen compoundacetalaromatic heteropolycyclic compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundpiperidineaminetertiary amineorganooxygen compoundbenzodioxole |
|---|
