| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 01:16:57 UTC |
|---|
| Update Date | 2025-03-21 19:09:28 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00243606 |
|---|
| Frequency | 8.7 |
|---|
| Structure | |
|---|
| Chemical Formula | C7H9NO2 |
|---|
| Molecular Mass | 139.0633 |
|---|
| SMILES | COc1cn(C)ccc1=O |
|---|
| InChI Key | QMGCHKIKEVZBKZ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | ethers |
|---|
| Direct Parent | alkyl aryl ethers |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesmethylpyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsvinylogous amides |
|---|
| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundmethylpyridinecyclic ketonealkyl aryl etherorganic oxidepyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
