| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:30:25 UTC |
|---|
| Update Date | 2025-03-25 01:04:53 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02270932 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H5NO2 |
|---|
| Molecular Mass | 135.032 |
|---|
| SMILES | Cc1ccc(C(=O)C#N)o1 |
|---|
| InChI Key | AOENQIKYZLRZTB-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | furans |
|---|
| Subclass | furoic acid and derivatives |
|---|
| Direct Parent | furoic acid and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | acyl cyanidesaryl ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | furoic acid or derivativesnitrilearomatic heteromonocyclic compoundheteroaromatic compoundketoneoxacycleorganic oxideorganic oxygen compoundacyl cyanideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compoundaryl ketone |
|---|
