| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:41:21 UTC |
|---|
| Update Date | 2025-03-21 17:59:02 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00018305 |
|---|
| Frequency | 226.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O5 |
|---|
| Molecular Mass | 252.0998 |
|---|
| SMILES | CC(C(=O)O)c1ccc(C(O)C(C)C(=O)O)cc1 |
|---|
| InChI Key | BPFGGBCSDNRSBJ-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 | aromatic alcoholsaromatic monoterpenoidsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanessecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholmonoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acid3-phenylpropanoic-acidp-cymenehydroxy acidcarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundbeta-hydroxy acidorganic oxideorganic oxygen compound2-phenylpropanoic-acidsecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
