| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:24:09 UTC |
|---|
| Update Date | 2025-03-21 18:38:20 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00120316 |
|---|
| Frequency | 21.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H10FNO2 |
|---|
| Molecular Mass | 255.0696 |
|---|
| SMILES | N#Cc1ccc2c(c1)COC2(O)c1ccc(F)cc1 |
|---|
| InChI Key | MPPCKUAYFLYARI-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | isocoumarans |
|---|
| Subclass | isocoumarans |
|---|
| Direct Parent | isocoumarans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl fluoridesfluorobenzeneshemiacetalshydrocarbon derivativesnitrilesorganofluoridesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietynitrileorganofluorideorganohalogen compoundaryl halideoxacyclefluorobenzeneisocoumaranorganic oxygen compoundaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundhemiacetalhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzenecarbonitrileorganooxygen compound |
|---|
