| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:26:15 UTC |
|---|
| Update Date | 2025-03-21 18:39:21 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00125248 |
|---|
| Frequency | 20.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H10FNO3 |
|---|
| Molecular Mass | 283.0645 |
|---|
| SMILES | N#Cc1ccc2c(c1)COC2(C(=O)O)c1ccc(F)cc1 |
|---|
| InChI Key | OVLLPWOPIBONMU-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 fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxideisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
