| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:17:06 UTC |
|---|
| Update Date | 2025-03-21 18:34:58 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00103246 |
|---|
| Frequency | 26.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H13N |
|---|
| Molecular Mass | 183.1048 |
|---|
| SMILES | CC1(C)CC=Cc2cc(C#N)ccc21 |
|---|
| InChI Key | DALFFHZYPDVEEI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
|---|
| Substituents | nitrilenaphthaleneorganonitrogen compoundorganopnictogen compoundaromatic homopolycyclic compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
|---|
