| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:46 UTC |
|---|
| Update Date | 2025-03-21 17:59:10 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00019268 |
|---|
| Frequency | 213.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C20H22FNO3 |
|---|
| Molecular Mass | 343.1584 |
|---|
| SMILES | CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C(=O)O)ccc21 |
|---|
| InChI Key | GECQEQCYCDJXJC-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylbutylamines |
|---|
| Direct Parent | phenylbutylamines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acidsaryl fluoridescarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesisocoumaransmonocarboxylic acids and derivativesorganic oxidesorganofluoridesorganopnictogen compoundsoxacyclic compoundstrialkylamines |
|---|
| Substituents | aryl fluorideethercarboxylic acidamino acid or derivativesamino acidcarboxylic acid derivativeorganohalogen compounddialkyl etherfluorobenzeneorganic oxidephenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundtertiary amineorganoheterocyclic compoundorganofluoridetertiary aliphatic aminearyl halideoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzeneamineorganooxygen compound |
|---|
