| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:59:01 UTC |
|---|
| Update Date | 2025-03-21 18:05:54 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00059816 |
|---|
| Frequency | 52.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C18H23NO4 |
|---|
| Molecular Mass | 317.1627 |
|---|
| SMILES | CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OCC12 |
|---|
| InChI Key | DJJJISJTRYYNKF-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | oxazepines |
|---|
| Subclass | 1,4-oxazepines |
|---|
| Direct Parent | 1,4-oxazepines |
|---|
| Geometric Descriptor | aromatic heteropolycyclic compounds |
|---|
| Alternative Parents | amino acids and derivativesazacyclic compoundsbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid estersdialkyl ethershydrocarbon derivativesmonocarboxylic acids and derivativesn-alkylpyrrolidinesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxetanespiperidinesprimary alcoholstrialkylamines |
|---|
| Substituents | monocyclic benzene moietycarbonyl groupetheramino acid or derivativescarboxylic acid derivativedialkyl etherbeta-hydroxy acidorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundpyrrolidineprimary alcoholpiperidinetertiary aminealcoholazacyclen-alkylpyrrolidinetertiary aliphatic aminehydroxy acidpara-oxazepineoxacyclemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esteroxetanehydrocarbon derivativebenzenoidorganic nitrogen compoundamineorganooxygen compound |
|---|
