| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:38 UTC |
|---|
| Update Date | 2025-03-25 00:59:47 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02239246 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H17NO |
|---|
| Molecular Mass | 215.131 |
|---|
| SMILES | N#Cc1ccc(CC2CCC(O)CC2)cc1 |
|---|
| InChI Key | DXSABZKYMGABPE-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzonitriles |
|---|
| Direct Parent | benzonitriles |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | cyclic alcohols and derivativescyclohexanolshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | alcoholnitrilecyclohexanolcyclic alcoholbenzonitrilearomatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
