| Record Information |
|---|
| HMDB Status | expected |
|---|
| Creation Date | 2024-02-20 23:49:25 UTC |
|---|
| Update Date | 2025-03-21 18:02:16 UTC |
|---|
| HMDB ID | HMDB0033798 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00037191 |
|---|
| Name | 3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone |
|---|
| Frequency | 94.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | CC(C)CC(=O)c1c(O)cc(O)cc1O |
|---|
| InChI Key | VSDWHZGJGWMIRN-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | carbonyl compounds |
|---|
| Direct Parent | alkyl-phenylketones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacylphloroglucinols and derivativesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesorganic oxidesorganooxygen compoundsvinylogous acids |
|---|
| Substituents | acylphloroglucinol derivativemonocyclic benzene moietyaryl alkyl ketonebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidbutyrophenonephloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidephenolhydrocarbon derivativebenzenoidalkyl-phenylketone |
|---|
