| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-21 14:51:02 UTC |
|---|
| Update Date | 2025-03-25 00:50:26 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID02180877 |
|---|
| Frequency | 0.5 |
|---|
| Structure | |
|---|
| Chemical Formula | C11H15NO5 |
|---|
| Molecular Mass | 241.095 |
|---|
| SMILES | OC1CC(O)(c2cccnc2)C(O)C(O)C1O |
|---|
| InChI Key | NSFBNWILFQIYRQ-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | organic oxygen compounds |
|---|
| Class | organooxygen compounds |
|---|
| Subclass | alcohols and polyols |
|---|
| Direct Parent | cyclohexanols |
|---|
| Geometric Descriptor | aromatic heteromonocyclic compounds |
|---|
| Alternative Parents | azacyclic compoundscyclitols and derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganonitrogen compoundsorganopnictogen compoundstertiary alcohols |
|---|
| Substituents | aromatic heteromonocyclic compoundazacycleheteroaromatic compoundhydroxypyridinecyclohexanolcyclitol or derivativescyclic alcoholtertiary alcoholpyridineorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compound |
|---|
