| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:02:12 UTC |
|---|
| Update Date | 2025-03-25 00:54:25 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02206257 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H14O3 |
|---|
| Molecular Mass | 206.0943 |
|---|
| SMILES | C=CC(=O)C(C)Cc1ccc(O)c(O)c1 |
|---|
| InChI Key | PTUOCQBHMCIUTA-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | phenylpropanes |
|---|
| Direct Parent | phenylpropanes |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacryloyl compoundsenoneshydrocarbon derivativesketonesorganic oxides |
|---|
| Substituents | carbonyl group1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundphenolhydrocarbon derivativeacryloyl-grouporganooxygen compoundenone |
|---|
