| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:16:11 UTC |
|---|
| Update Date | 2025-03-25 00:59:37 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02238242 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H17FO3 |
|---|
| Molecular Mass | 300.1162 |
|---|
| SMILES | O=C(O)CCC1(c2ccc(F)cc2)Cc2ccccc2CO1 |
|---|
| InChI Key | GNNRFTWBNUCIKG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | benzopyrans |
|---|
| Subclass | 2-benzopyrans |
|---|
| Direct Parent | 2-benzopyrans |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | aryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesoxacyclic compounds |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethercarboxylic acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidearomatic heteropolycyclic compoundorganofluoridearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compound2-benzopyranhydrocarbon derivativebenzenoidhalobenzeneorganooxygen compound |
|---|
