| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:03 UTC |
|---|
| Update Date | 2025-03-21 18:05:56 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059928 |
|---|
| Frequency | 52.3 |
|---|
| Structure | |
|---|
| Chemical Formula | C9H11O6P |
|---|
| Molecular Mass | 246.0293 |
|---|
| SMILES | CC(C(=O)O)c1ccc(OP(=O)(O)O)cc1 |
|---|
| InChI Key | HTQVFXZUAROKPW-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 | carbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesphenoxy compoundsphenyl phosphates |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidphenyl phosphatecarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidphosphoric acid esterhydrocarbon derivativearyl phosphomonoesterbenzenoidphenoxy compoundaryl phosphateorganic phosphoric acid derivativeorganooxygen compound |
|---|
