| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:43:57 UTC |
|---|
| Update Date | 2025-03-21 17:59:56 UTC |
|---|
| HMDB ID | HMDB0140969 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00024180 |
|---|
| Name | 2-[4-(2-methylprop-2-en-1-yl)phenyl]propanoic acid |
|---|
| Frequency | 161.6 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H16O2 |
|---|
| Molecular Mass | 204.115 |
|---|
| SMILES | C=C(C)Cc1ccc(C(C)C(=O)O)cc1 |
|---|
| InChI Key | QXHUNSIVQWFRQU-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 monoterpenoidscarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanes |
|---|
| Substituents | monoterpenoidmonocyclic benzene moietycarbonyl groupmonocyclic monoterpenoidcarboxylic acidp-cymenecarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativebenzenoidorganooxygen compoundaromatic monoterpenoid |
|---|
