| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 15:12:22 UTC |
|---|
| Update Date | 2025-03-25 00:58:15 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02229591 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H18O4 |
|---|
| Molecular Mass | 250.1205 |
|---|
| SMILES | CCCCC(=O)CC(=O)c1ccc(O)c(OC)c1 |
|---|
| InChI Key | BOXLAKRSNBFVIW-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | paradols |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersalkyl-phenylketonesanisolesaryl alkyl ketonesbenzoyl derivativesbutyrophenoneshydrocarbon derivativesmethoxybenzenesorganic oxidesphenoxy compounds |
|---|
| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupetheraryl alkyl ketonebenzoyl1-hydroxy-2-unsubstituted benzenoidalkyl aryl etherketoneorganic oxidemethoxybenzeneparadolphenylketonebutyrophenonearomatic homomonocyclic compoundorganic oxygen compoundanisolehydrocarbon derivativephenoxy compoundalkyl-phenylketoneorganooxygen compoundaryl ketone |
|---|
