| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:50:30 UTC |
|---|
| Update Date | 2025-03-25 00:50:14 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02179634 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C15H23NO6 |
|---|
| Molecular Mass | 313.1525 |
|---|
| SMILES | COc1ccc(CC2NC(CO)C(O)C(O)C2O)cc1OC |
|---|
| InChI Key | ZMCQVYWDVQLTCK-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | piperidines |
|---|
| Subclass | benzylpiperidines |
|---|
| Direct Parent | 2-benzylpiperidines |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | alkyl aryl ethersanisolesazacyclic compoundsdialkylaminesdimethoxybenzeneshydrocarbon derivativesorganopnictogen compoundsphenoxy compoundsprimary alcoholssecondary alcohols |
|---|
| Substituents | phenol ethermonocyclic benzene moietyether2-benzylpiperidinearomatic heteromonocyclic compoundalkyl aryl etherdimethoxybenzeneo-dimethoxybenzeneorganonitrogen compoundorganopnictogen compoundprimary alcoholalcoholsecondary aliphatic amineazacyclesecondary aminemethoxybenzeneorganic oxygen compoundanisolesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundorganooxygen compoundamine |
|---|
