| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:54:23 UTC |
|---|
| Update Date | 2025-03-25 00:51:40 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02188492 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H15FO3 |
|---|
| Molecular Mass | 226.1005 |
|---|
| SMILES | CC(F)(C(=O)O)C(C)(C)c1ccc(O)cc1 |
|---|
| InChI Key | SDBDVWIOADRYEK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | phenylpropanoic acids |
|---|
| Subclass | phenylpropanoic acids |
|---|
| Direct Parent | phenylpropanoic acids |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl fluoridesalpha-halocarboxylic acidscarbonyl compoundscarboxylic acidsfatty acylshalogenated fatty acidshydrocarbon derivativeshydroxy fatty acidsmonocarboxylic acids and derivativesorganic oxidesorganofluoridesphenylpropanes |
|---|
| Substituents | alpha-halocarboxylic acid or derivativesfatty acylmonocyclic benzene moietycarbonyl groupcarboxylic acid3-phenylpropanoic-acid1-hydroxy-2-unsubstituted benzenoidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundphenylpropaneorganic oxidealkyl halidehydroxy fatty acidhalogenated fatty acidalkyl fluorideorganofluoridearomatic homomonocyclic compoundmonocarboxylic acid or derivativesorganic oxygen compoundphenolhydrocarbon derivativebenzenoidorganooxygen compound |
|---|
