| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:45:00 UTC |
|---|
| Update Date | 2025-03-25 00:48:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02167083 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H11FO5 |
|---|
| Molecular Mass | 242.0591 |
|---|
| SMILES | CC(C(=O)O)c1cccc(C(O)(F)C(=O)O)c1 |
|---|
| InChI Key | IYHDYGXTLUZMAO-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 | alkyl fluoridesalpha hydroxy acids and derivativesalpha-halocarboxylic acidsaromatic alcoholsbenzene and substituted derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesorganofluorides |
|---|
| Substituents | aromatic alcoholalcoholalpha-halocarboxylic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidalkyl fluorideorganofluoridealpha-hydroxy acidhydroxy acidalpha-halocarboxylic acidcarboxylic acid derivativeorganohalogen compoundaromatic homomonocyclic compoundorganic oxideorganic oxygen compound2-phenylpropanoic-aciddicarboxylic acid or derivativesalkyl halidehydrocarbon derivativebenzenoidorganooxygen compound |
|---|
