| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:51:05 UTC |
|---|
| Update Date | 2025-03-21 18:02:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00041123 |
|---|
| Frequency | 83.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C16H16O4 |
|---|
| Molecular Mass | 272.1049 |
|---|
| SMILES | COc1cc(CCC(=O)c2ccc(O)cc2)ccc1O |
|---|
| InChI Key | BPRALSKZBQABSR-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | phenylpropanoids and polyketides |
|---|
| Class | linear 1,3-diarylpropanoids |
|---|
| Subclass | chalcones and dihydrochalcones |
|---|
| Direct Parent | retro-dihydrochalcones |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenonescinnamylphenolshydrocarbon derivativesmethoxybenzenesmethoxyphenolsorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietyetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidmethoxyphenolcinnamylphenolretro-dihydrochalconealkyl aryl etherketoneorganic oxidemethoxybenzenephenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundanisolephenolhydrocarbon derivativebenzenoidphenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
|---|
