| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:18:55 UTC |
|---|
| Update Date | 2025-03-25 01:00:46 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02244581 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O3 |
|---|
| Molecular Mass | 234.1256 |
|---|
| SMILES | CCCCCC(O)=CC(=O)c1ccc(O)cc1 |
|---|
| InChI Key | GEMYNGATHRXFPL-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzoyl derivatives |
|---|
| Direct Parent | benzoyl derivatives |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalpha,beta-unsaturated ketonesaryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
|---|
| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoidalpha,beta-unsaturated ketoneketonearomatic homomonocyclic compoundvinylogous acidorganic oxideorganic oxygen compoundphenolhydrocarbon derivativeorganooxygen compoundaryl ketone |
|---|
