| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:59:26 UTC |
|---|
| Update Date | 2025-03-25 00:53:29 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02199944 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H20N2O |
|---|
| Molecular Mass | 256.1576 |
|---|
| SMILES | N#Cc1ccc2c(c1)CCNC2C1(O)CCCCC1 |
|---|
| InChI Key | UBFFFRFPCSFZGU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | tetrahydroisoquinolines |
|---|
| Subclass | tetrahydroisoquinolines |
|---|
| Direct Parent | tetrahydroisoquinolines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | azacyclic compoundsbenzenoidscyclic alcohols and derivativescyclohexanolsdialkylamineshydrocarbon derivativesnitrilesorganopnictogen compoundstertiary alcohols |
|---|
| Substituents | alcoholsecondary aliphatic aminenitrileazacyclecyclohexanolcyclic alcoholsecondary aminetertiary alcoholorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundtetrahydroisoquinolineorganopnictogen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundcarbonitrileorganooxygen compoundamine |
|---|
