| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:47:05 UTC |
|---|
| Update Date | 2025-03-25 00:49:04 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02171796 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H21ClFNO |
|---|
| Molecular Mass | 333.1296 |
|---|
| SMILES | CN(C)CCC1(c2ccc(F)cc2)Cc2ccc(Cl)cc2CO1 |
|---|
| InChI Key | ANNJUEZIGDNKPE-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 chloridesaryl fluoridesdialkyl ethersfluorobenzeneshydrocarbon derivativesorganochloridesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietyetherorganochlorideorganohalogen compounddialkyl etherfluorobenzenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary aminearyl chlorideorganofluoridetertiary aliphatic aminearyl halideoxacycleorganic oxygen compound2-benzopyranhydrocarbon derivativebenzenoidorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
