| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:17:42 UTC |
|---|
| Update Date | 2025-03-25 01:00:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02241710 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H11NO |
|---|
| Molecular Mass | 197.0841 |
|---|
| SMILES | CC(O)c1ccc2ccc(C#N)cc2c1 |
|---|
| InChI Key | IWBDNMIYRCCSND-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | naphthalenes |
|---|
| Subclass | naphthalenes |
|---|
| Direct Parent | naphthalenes |
|---|
| Geometric Descriptor | aromatic homopolycyclic compounds |
|---|
| Alternative Parents | aromatic alcoholshydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholnitrilearomatic homopolycyclic compoundnaphthaleneorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
|---|
