| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 00:15:30 UTC |
|---|
| Update Date | 2025-03-21 18:34:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00099288 |
|---|
| Frequency | 27.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C14H21NO6 |
|---|
| Molecular Mass | 299.1369 |
|---|
| SMILES | NCCc1ccc(OC2CC(O)C(O)C(O)C2O)c(O)c1 |
|---|
| InChI Key | BYPWKYAXIUUFEQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | phenol ethers |
|---|
| Subclass | phenol ethers |
|---|
| Direct Parent | phenol ethers |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl aryl etherscyclitols and derivativescyclohexanolshydrocarbon derivativesmonoalkylaminesorganonitrogen compoundsorganopnictogen compoundsphenoxy compounds |
|---|
| Substituents | alcoholphenol ethermonocyclic benzene moietyethercyclohexanol1-hydroxy-2-unsubstituted benzenoidcyclitol or derivatives1-hydroxy-4-unsubstituted benzenoidcyclic alcoholalkyl aryl etheraromatic homomonocyclic compoundorganic oxygen compoundorganonitrogen compoundsecondary alcoholorganopnictogen compoundphenolhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
|---|
