| Record Information |
|---|
| HMDB Status | predicted |
|---|
| Creation Date | 2024-02-20 23:56:32 UTC |
|---|
| Update Date | 2025-03-21 18:04:58 UTC |
|---|
| HMDB ID | HMDB0133535 |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00053960 |
|---|
| Name | 1-hydroxy-4-(4-hydroxy-3-methoxyphenyl)butan-2-one |
|---|
| Frequency | 59.8 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H14O4 |
|---|
| Molecular Mass | 210.0892 |
|---|
| SMILES | COc1cc(CCC(=O)CO)ccc1O |
|---|
| InChI Key | YBAPAYGZALHJKO-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalcohols and polyolsalkyl aryl ethersalpha-hydroxy ketonesanisoleshydrocarbon derivativesmethoxybenzenesmonosaccharidesorganic oxidesphenoxy compounds |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietycarbonyl groupether1-hydroxy-2-unsubstituted benzenoidmethoxyphenolmonosaccharidealkyl aryl etheralpha-hydroxy ketonemethoxybenzeneketonearomatic homomonocyclic compoundsaccharideorganic oxideorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundorganooxygen compound |
|---|
