| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:15:28 UTC |
|---|
| Update Date | 2025-03-25 00:59:22 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02236633 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C19H18O6 |
|---|
| Molecular Mass | 342.1103 |
|---|
| SMILES | COc1cc(C=CC(=O)CC(=O)c2ccc(O)cc2)cc(OC)c1O |
|---|
| InChI Key | DRLWTVIBSVHWOT-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 benzenoidsacryloyl compoundsalkyl aryl ethersanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonesdimethoxybenzenesenoneshydrocarbon derivativeshydroxycinnamic acidsmethoxyphenolsorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl etheralpha,beta-unsaturated ketonehydroxycinnamic acid or derivativesdimethoxybenzenecinnamic acid or derivativesorganic oxideenonemethoxybenzenehydroxycinnamic acidbutyrophenonearomatic homomonocyclic compoundm-dimethoxybenzeneanisolephenolhydrocarbon derivativebenzenoidacryloyl-groupphenoxy compoundalkyl-phenylketone |
|---|
