| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:49:13 UTC |
|---|
| Update Date | 2025-03-21 18:02:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00036670 |
|---|
| Frequency | 96.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C17H12FNO3 |
|---|
| Molecular Mass | 297.0801 |
|---|
| SMILES | N#Cc1ccc2c(c1)COC2(CC(=O)O)c1ccc(F)cc1 |
|---|
| InChI Key | ZIQSSIJKMMRVKA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesnitrilesorganic oxidesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethernitrilecarboxylic acid3-phenylpropanoic-acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxideisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compoundorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneorganooxygen compound |
|---|
