| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:53:24 UTC |
|---|
| Update Date | 2025-03-25 00:51:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02186232 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H20N2O |
|---|
| Molecular Mass | 220.1576 |
|---|
| SMILES | NCCC1(O)CCC(c2cccnc2)CC1 |
|---|
| InChI Key | MJLHAQWWSIQYSN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscyclic alcohols and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclohexanolcyclic alcoholtertiary alcoholpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundorganoheterocyclic compound |
|---|
