| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:21:34 UTC |
|---|
| Update Date | 2025-03-25 01:01:38 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02250703 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11FO3 |
|---|
| Molecular Mass | 210.0692 |
|---|
| SMILES | O=C(O)CC1(c2ccc(F)cc2)CCO1 |
|---|
| InChI Key | MXCOUXCHSQCTMR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | aryl fluoridescarbonyl compoundscarboxylic acidsdialkyl ethersfluorobenzeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganofluoridesoxacyclic compoundsoxetanes |
|---|
| Substituents | aryl fluoridemonocyclic benzene moietycarbonyl groupethercarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidorganofluoridecarboxylic acid derivativeorganohalogen compounddialkyl etheraryl halideoxacyclefluorobenzeneorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundoxetanehydrocarbon derivativebenzenoidhalobenzeneorganoheterocyclic compoundorganooxygen compound |
|---|
