| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:36 UTC |
|---|
| Update Date | 2025-03-25 00:50:16 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179855 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | Cc1c(O)cc(O)c(C(=O)C(C)C)c1O |
|---|
| InChI Key | VZGICEILONCHRY-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 derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundsortho cresolspara cresolsphenylpropanestoluenesvinylogous acids |
|---|
| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidphenylpropanephloroglucinol derivativeorganic oxidep-cresolo-cresolacylphloroglucinol derivativebenzenetriol1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundvinylogous acidphenolhydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
|---|
