| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 11:29:51 UTC |
|---|
| Update Date | 2025-03-24 21:12:32 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID01705813 |
|---|
| Frequency | 0.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO2 |
|---|
| Molecular Mass | 139.0633 |
|---|
| SMILES | CNCc1ccc(=O)oc1 |
|---|
| InChI Key | ISPBNIHNHISGAJ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organoheterocyclic compounds |
|---|
| Class | pyrans |
|---|
| Subclass | pyranones and derivatives |
|---|
| Direct Parent | pyranones and derivatives |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | dialkylaminesheteroaromatic compoundshydrocarbon derivativeslactonesorganic oxidesorganooxygen compoundsorganopnictogen compoundsoxacyclic compounds |
|---|
| Substituents | secondary aliphatic aminearomatic heteromonocyclic compoundheteroaromatic compoundsecondary aminelactoneoxacycleorganic oxideorganic oxygen compoundorganonitrogen compoundpyranoneorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compoundamine |
|---|
