| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:49:35 UTC |
|---|
| Update Date | 2025-03-25 00:49:55 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02177581 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C13H18O6 |
|---|
| Molecular Mass | 270.1103 |
|---|
| SMILES | COc1cc(C(O)C2CC(O)C(O)CO2)ccc1O |
|---|
| InChI Key | FYJLZARWFJQTHG-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenols |
|---|
| Subclass | methoxyphenols |
|---|
| Direct Parent | methoxyphenols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkyl aryl ethersanisolesaromatic alcoholsdialkyl ethershydrocarbon derivativesmethoxybenzenesoxacyclic compoundsoxanesphenoxy compoundssecondary alcohols |
|---|
| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietyetheraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmethoxyphenolalkyl aryl ethermethoxybenzenedialkyl etheroxacycleorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativephenoxy compoundoxaneorganoheterocyclic compoundorganooxygen compound |
|---|
